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Regex Pattern / motif 260 results

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260 results for Pattern / motif query

Cards

Pattern / motif 260 results DB fairmol

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Query interpretation

Pattern registry Vnos: imidazole Imidazole

Select ID 6 DB fairmol

CKP-29

ID 6

Nc1cccc2c1[nH+]cn2Cc1ccc2ccccc2c1

Formula: C18H16N3+

MW: 274.35 | LogP: 3.24

TPSA: 45.09

Patterns:

Imidazole

Detail

Select ID 21 DB fairmol

OHD_TC1_133

ID 21

Clc1ccc(-c2cc([C@@H](c3ccc(Cl)cc3)n3cc[nH+]c3)c[nH]2)cc1

Formula: C20H16Cl2N3+

MW: 369.28 | LogP: 5.24

TPSA: 34.86

Patterns:

Imidazole

Detail

Select ID 40 DB fairmol

OHD_TB2020_35

ID 40

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3nc(F)ccc3[nH]2)c1=O

Formula: C20H19ClFN5O2

MW: 415.86 | LogP: 3.38

TPSA: 77.73

Patterns:

Imidazole

Detail

Select ID 62 DB fairmol

OHD_TB2021_31

ID 62

NC(=[NH2+])Nc1ccc2[nH]c(-c3ccccc3Oc3ccccc3)nc2c1

Formula: C20H18N5O+

MW: 344.40 | LogP: 2.51

TPSA: 101.55

Patterns:

Imidazole

Detail

Select ID 97 DB fairmol

KB_chagas_92

ID 97

CN(Cc1ccccc1)Cc1nnnn1[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1

Formula: C25H32N8+2

MW: 444.59 | LogP: 1.33

TPSA: 70.35

Patterns:

Imidazole

Detail

Select ID 119 DB fairmol

Z220539038

ID 119

O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1

Formula: C25H24N3O+

MW: 382.49 | LogP: 4.67

TPSA: 50.24

Patterns:

Imidazole

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:

Imidazole

Detail

Select ID 139 DB fairmol

OHD_TC1_128

ID 139

O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)CC1)Nc1ncc(-c2ccc3c(c2)OCO3)[nH]1

Formula: C25H30N5O3+

MW: 448.55 | LogP: 2.81

TPSA: 92.71

Patterns:

Imidazole

Detail

Select ID 148 DB fairmol

Z19650505

ID 148

O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCO2

Formula: C16H13N3O3S

MW: 327.37 | LogP: 3.02

TPSA: 76.24

Patterns:

Imidazole

Detail

Select ID 155 DB fairmol

OHD_TB2020_34

ID 155

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3ccc(Cl)nc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

Imidazole

Detail

Select ID 222 DB fairmol

Z2217007926

ID 222

CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2c1=O

Formula: C24H25ClN6O4S

MW: 529.02 | LogP: 2.65

TPSA: 124.16

Patterns:

Imidazole

Detail

Select ID 226 DB fairmol

TC85

ID 226

Cn1cc(C[C@@H](O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c[nH+]2)c2ccccc21

Formula: C33H30N3O+

MW: 484.62 | LogP: 5.91

TPSA: 44.23

Patterns:

Imidazole

Detail

Select ID 234 DB fairmol

MK179

ID 234

S=c1cc(-c2ccc(OCC[NH+]3CCN(c4ncnc5nc[nH]c45)CC3)cc2)ss1

Formula: C20H21N6OS3+

MW: 457.63 | LogP: 2.66

TPSA: 71.37

Patterns:

Imidazole

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:

Imidazole

Detail

Select ID 274 DB fairmol

OHD_TB2020_31

ID 274

O=c1n(Cc2nc3ccc(Cl)nc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

Imidazole

Detail

Select ID 295 DB fairmol

Z56964630

ID 295

Clc1cccc(N/N=C(/Cc2[nH]c3ccccc3[nH+]2)c2ccccc2)c1

Formula: C21H18ClN4+

MW: 361.86 | LogP: 4.69

TPSA: 54.32

Patterns:

Imidazole

Detail

Select ID 309 DB fairmol

Z29582968

ID 309

O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1

Formula: C28H26N4O4

MW: 482.54 | LogP: 3.79

TPSA: 96.55

Patterns:

Imidazole

Detail

Select ID 325 DB fairmol

Z1820095916

ID 325

Cc1ccc(C)c(Cn2c(N3CCC(C(=O)NCc4cccs4)CC3)[nH+]c3ccccc32)c1

Formula: C27H31N4OS+

MW: 459.64 | LogP: 4.71

TPSA: 51.41

Patterns:

Imidazole

Detail

Select ID 329 DB fairmol

OHD_Leishmania_439

ID 329

COC(=O)c1c(C)[nH+]cn1CC(c1c[nH]c2ccc(C)cc12)c1c[nH]c2ccc(C)cc12

Formula: C26H27N4O2+

MW: 427.53 | LogP: 4.81

TPSA: 76.95

Patterns:

Imidazole

Detail

Select ID 342 DB fairmol

Z16078173

ID 342

COc1ccc2[nH]c(SCC(=O)Nc3ccc(C(C)=O)cc3)nc2c1

Formula: C18H17N3O3S

MW: 355.42 | LogP: 3.50

TPSA: 84.08

Patterns:

Imidazole

Detail

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