Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 5571 Samples 0

Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.

Regex Pattern / motif 176 results

Clear

Query

Treat text query as regular expression

Mode

Sort

Per page

Similarity threshold

Threshold 0.50

Properties

MW min

MW max

LogP min

LogP max

TPSA min

TPSA max

Property fields regex

Reset all

Results

176 results for Pattern / motif query

Cards

Pattern / motif 176 results DB fairmol

Selected 0 Select all on page Select all results

Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.

Query interpretation

Pattern registry Vnos: naphthalene Naphthalene

Select ID 6 DB fairmol

CKP-29

ID 6

Nc1cccc2c1[nH+]cn2Cc1ccc2ccccc2c1

Formula: C18H16N3+

MW: 274.35 | LogP: 3.24

TPSA: 45.09

Patterns:

Naphthalene

Detail

Select ID 69 DB fairmol

Z30879420

ID 69

O=C(c1cc2ccccc2cc1O)N1CCN(c2ccccc2O)CC1

Formula: C21H20N2O3

MW: 348.40 | LogP: 3.21

TPSA: 64.01

Patterns:

Naphthalene

Detail

Select ID 101 DB fairmol

Z57388199

ID 101

Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1

Formula: C26H22N6O

MW: 434.50 | LogP: 4.80

TPSA: 87.96

Patterns:

Naphthalene

Detail

Select ID 102 DB fairmol

OHD_TC1_11

ID 102

O=C(C[C@@H](Nc1ccc2ccccc2c1)c1ccncc1)c1ccc(Br)cc1

Formula: C24H19BrN2O

MW: 431.33 | LogP: 6.42

TPSA: 41.99

Patterns:

Naphthalene

Detail

Select ID 107 DB fairmol

OSA_Lib_28

ID 107

C[NH+](C)[C@]12CC[NH2+][C@H]([C@@H](c3cccc4ccccc34)C1)[C@@H](c1cccc3ccccc13)C2

Formula: C30H34N2+2

MW: 422.62 | LogP: 3.87

TPSA: 21.05

Patterns:

Naphthalene

Detail

Select ID 126 DB fairmol

Z56781211

ID 126

Oc1ccc2ccccc2c1/C=[NH+]/Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H17N6O+

MW: 381.42 | LogP: 2.41

TPSA: 100.69

Patterns:

Naphthalene

Detail

Select ID 149 DB fairmol

OHD_TB2020_45

ID 149

COc1ccc(C[N@H+]2Cc3c(C(=O)NCc4cccc5ccccc45)nn(CCO)c3C2)c2ccccc12

Formula: C31H31N4O3+

MW: 507.61 | LogP: 3.22

TPSA: 80.82

Patterns:

Naphthalene

Detail

Select ID 183 DB fairmol

CKP-42

ID 183

COc1cccc2c1[n+](C/C=C/c1ccc([N+](=O)O)cc1)cn2Cc1ccc2ccccc2c1

Formula: C28H25N3O3+2

MW: 451.53 | LogP: 5.65

TPSA: 58.35

Patterns:

Naphthalene

Detail

Select ID 194 DB fairmol

Z56768366

ID 194

O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccc(Cl)cc1

Formula: C22H16ClNO4S

MW: 425.89 | LogP: 5.37

TPSA: 86.63

Patterns:

Naphthalene

Detail

Select ID 204 DB fairmol

Z26548007

ID 204

N#Cc1cccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)c1

Formula: C26H16N2O2S

MW: 420.49 | LogP: 5.65

TPSA: 69.96

Patterns:

Naphthalene

Detail

Select ID 213 DB fairmol

Z56940509

ID 213

O=C1Nc2ccc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)c3cccc1c23

Formula: C23H16N2O3S

MW: 400.46 | LogP: 4.87

TPSA: 75.27

Patterns:

Naphthalene

Detail

Select ID 228 DB fairmol

Z49890540

ID 228

Cc1sc2nc[nH]/c(=N\N=C/c3c(O)ccc4ccccc34)c2c1C

Formula: C19H16N4OS

MW: 348.43 | LogP: 4.03

TPSA: 73.63

Patterns:

Naphthalene

Detail

Select ID 256 DB fairmol

Z55694322

ID 256

COc1ccc(NS(=O)(=O)c2ccc3nc(COc4cccc5ccccc45)[nH]c3c2)cc1

Formula: C25H21N3O4S

MW: 459.53 | LogP: 5.10

TPSA: 93.31

Patterns:

Naphthalene

Detail

Select ID 266 DB fairmol

OHD_Leishmania_141

ID 266

CCCn1c2ccccc2c2c3c4ccccc4c(=O)n(CCc4cccc5ccccc45)c3ccc21

Formula: C34H28N2O

MW: 480.61 | LogP: 8.07

TPSA: 26.93

Patterns:

Naphthalene

Detail

Select ID 275 DB fairmol

OSA_Lib_349

ID 275

C[NH+](C)[C@]12C[C@H](O)[C@H]([C@H](c3cccc4ccccc34)C1)[C@H](c1cccc3ccccc13)C2

Formula: C30H32NO+

MW: 422.59 | LogP: 4.92

TPSA: 24.67

Patterns:

Naphthalene

Detail

Select ID 318 DB fairmol

Z56815073

ID 318

O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1

Formula: C21H15BrClN3O3S3

MW: 568.93 | LogP: 6.24

TPSA: 88.16

Patterns:

Naphthalene

Detail

Select ID 393 DB fairmol

Z19023846

ID 393

O=C(Cn1ncc(Cl)c(Cl)c1=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1

Formula: C20H18Cl2N4O4S

MW: 481.36 | LogP: 2.24

TPSA: 92.58

Patterns:

Naphthalene

Detail

Select ID 397 DB fairmol

OHD_ACDS_49

ID 397

O=C1c2cccc3cccc(c23)C(=O)N1CCC[NH2+]CCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c23)C1=O

Formula: C34H36N4O4+2

MW: 564.69 | LogP: 2.57

TPSA: 107.98

Patterns:

Naphthalene

Detail

Select ID 419 DB fairmol

OHD_DCM_37

ID 419

O=[N+](O)c1ccc(NNC(=S)NCc2cccc3ccccc23)cc1

Formula: C18H17N4O2S+

MW: 353.43 | LogP: 3.63

TPSA: 76.40

Patterns:

Naphthalene

Detail

Select ID 441 DB fairmol

Z56784540

ID 441

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1cccc2ccccc12)c1cccs1

Formula: C27H22N4O2S

MW: 466.57 | LogP: 4.87

TPSA: 86.35

Patterns:

Naphthalene

Detail

Page 1 / 9