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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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44 results for Pattern / motif query
Pattern / motif 44 results DB fairmol
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Query interpretation
Pattern registry Vnos: cinnoline Cinnoline
ID 126 DB fairmol
2D structure

Z56781211

ID 126

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

Formula: C22H17N6O+

MW: 381.42 | LogP: 2.41

TPSA: 100.69

Patterns:

Cinnoline
Detail
ID 173 DB fairmol
2D structure

Z26973046

ID 173

O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC(c2nc3ccccc3o2)CC1

Formula: C28H24N4O3

MW: 464.53 | LogP: 4.61

TPSA: 81.23

Patterns:

Cinnoline
Detail
ID 913 DB fairmol
2D structure

Z56781211

ID 913

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

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Cinnoline
Detail
ID 1115 DB fairmol
2D structure

Z28654532

ID 1115

CC(C)n1nc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c2ccccc2c1=O

Formula: C21H17Cl2N5O2S2

MW: 506.44 | LogP: 5.68

TPSA: 89.77

Patterns:

Cinnoline
Detail
ID 1146 DB fairmol
2D structure

OHD_TC1_122

ID 1146

c1ccc2c(NCCc3c[nH]cn3)nncc2c1

Formula: C13H13N5

MW: 239.28 | LogP: 2.01

TPSA: 66.49

Patterns:

Cinnoline
Detail
ID 1184 DB fairmol
2D structure

Z44851564

ID 1184

Cc1[nH]c2ccccc2c1/C=[NH+]\Nc1nncc2ccccc12

Formula: C18H16N5+

MW: 302.36 | LogP: 1.95

TPSA: 67.57

Patterns:

Cinnoline
Detail
ID 1229 DB fairmol
2D structure

Z73416904

ID 1229

O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1

Formula: C21H22N4O5S

MW: 442.50 | LogP: 0.80

TPSA: 121.46

Patterns:

Cinnoline
Detail
ID 1313 DB fairmol
2D structure

OHD_Leishmania_486

ID 1313

c1ccc2c(NCCc3c[nH]c[nH+]3)nncc2c1

Formula: C13H14N5+

MW: 240.29 | LogP: 1.43

TPSA: 67.74

Patterns:

Cinnoline
Detail
ID 1357 DB fairmol
2D structure

Z56781211

ID 1357

Oc1ccc2ccccc2c1/C=N\Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Cinnoline
Detail
ID 1396 DB fairmol
2D structure

Z44852102

ID 1396

CN(CCO)c1ccc(/C=N\Nc2nncc3ccccc23)cc1

Formula: C18H19N5O

MW: 321.38 | LogP: 2.50

TPSA: 73.64

Patterns:

Cinnoline
Detail
ID 2223 DB fairmol
2D structure

Z89541367

ID 2223

C[C@@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)CCCC2

Formula: C22H23N3O2

MW: 361.45 | LogP: 3.22

TPSA: 74.85

Patterns:

Cinnoline
Detail
ID 2302 DB fairmol
2D structure

Z226217786

ID 2302

O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(N2CCOCC2)nc1

Formula: C20H21N5O3

MW: 379.42 | LogP: 1.01

TPSA: 100.21

Patterns:

Cinnoline
Detail
ID 2450 DB fairmol
2D structure

Z44851526

ID 2450

C(=N/Nc1n[nH+]cc2ccccc12)/c1cccc[nH+]1

Formula: C14H13N5+2

MW: 251.29 | LogP: 1.31

TPSA: 65.56

Patterns:

Cinnoline
Detail
ID 2573 DB fairmol
2D structure

Z31216093

ID 2573

O=c1c2ccccc2nc2c3ccccc3c(NCc3ccccn3)nn12

Formula: C21H15N5O

MW: 353.39 | LogP: 3.40

TPSA: 72.18

Patterns:

Cinnoline
Detail
ID 2620 DB fairmol
2D structure

ulfkktlib_2425

ID 2620

CCOC(=O)C(/C=N/[C@@H](/C=N/Nc1nnc(Cl)c2ccccc12)C(=O)OCC)C(=O)OCC

Formula: C21H24ClN5O6

MW: 477.91 | LogP: 2.43

TPSA: 141.43

Patterns:

Cinnoline
Detail
ID 2628 DB fairmol
2D structure

ulfkktlib_1062

ID 2628

COC(=O)[C@H](C/C=N/Nc1nnc(Cl)c2ccccc12)NC(=O)C(F)(F)F

Formula: C15H13ClF3N5O3

MW: 403.75 | LogP: 2.29

TPSA: 105.57

Patterns:

Cinnoline
Detail
ID 2831 DB fairmol
2D structure

Z226217786

ID 2831

O=C(Cc1n[nH]c(=O)c2ccccc12)NCc1ccc(N2CCOCC2)[nH+]c1

Formula: C20H22N5O3+

MW: 380.43 | LogP: 0.43

TPSA: 101.46

Patterns:

Cinnoline
Detail
ID 2876 DB fairmol
2D structure

Z166606608

ID 2876

O=C1CCC(=O)N1c1cc(Cc2[nH+]nc(O)c3ccccc23)ccc1F

Formula: C19H15FN3O3+

MW: 352.35 | LogP: 2.14

TPSA: 84.64

Patterns:

Cinnoline
Detail
ID 3048 DB fairmol
2D structure

Z57020799

ID 3048

CSCC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1[nH]c2ccccc2[nH+]1

Formula: C21H22N5O2S+

MW: 408.51 | LogP: 2.45

TPSA: 93.92

Patterns:

Cinnoline
Detail
ID 3193 DB fairmol
2D structure

Z89541367

ID 3193

C[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)CCCC2

Formula: C22H23N3O2

MW: 361.45 | LogP: 3.22

TPSA: 74.85

Patterns:

Cinnoline
Detail
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