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Regex Pattern / motif 72 results

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72 results for Pattern / motif query

Cards

Pattern / motif 72 results DB fairmol

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Query interpretation

Pattern registry Vnos: benzothiazole Benzothiazole

Select ID 10 DB fairmol

Z14342059

ID 10

O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

Benzothiazole

Detail

Select ID 91 DB fairmol

Z56842660

ID 91

CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1

Formula: C19H14FN3OS2

MW: 383.47 | LogP: 5.02

TPSA: 68.01

Patterns:

Benzothiazole

Detail

Select ID 96 DB fairmol

Z56842667

ID 96

CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1-c1nc2ccccc2s1

Formula: C19H14FN3OS2

MW: 383.47 | LogP: 5.02

TPSA: 68.01

Patterns:

Benzothiazole

Detail

Select ID 98 DB fairmol

Z56802793

ID 98

C[n+]1c(S)n[nH]c1CSc1[nH+]c2ccccc2s1

Formula: C11H12N4S3+2

MW: 296.45 | LogP: 1.84

TPSA: 46.70

Patterns:

Benzothiazole

Detail

Select ID 345 DB fairmol

Z18551701

ID 345

C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1

Formula: C20H20ClN3O4S3

MW: 498.05 | LogP: 4.09

TPSA: 88.60

Patterns:

Benzothiazole

Detail

Select ID 500 DB fairmol

Z56871509

ID 500

O=S(=O)(N=C1C=CC(=C(O)Nc2nc3ccc(SC(F)F)cc3s2)C=C1)c1ccc(F)c(F)c1

Formula: C21H13F4N3O3S3

MW: 527.55 | LogP: 6.03

TPSA: 91.65

Patterns:

Benzothiazole

Detail

Select ID 634 DB fairmol

OHD_TB2021_103

ID 634

Clc1ccc(-n2cc(Oc3ccc(-c4nc5ccc(C6=[NH+]CCN6)cc5s4)cc3)nn2)cc1

Formula: C24H18ClN6OS+

MW: 473.97 | LogP: 3.42

TPSA: 78.83

Patterns:

Benzothiazole

Detail

Select ID 662 DB fairmol

Z29325010

ID 662

Cc1c[nH]/c(=N/C(=O)c2ccc(-c3nc4ccccc4s3)o2)s1

Formula: C16H11N3O2S2

MW: 341.42 | LogP: 4.00

TPSA: 71.25

Patterns:

Benzothiazole

Detail

Select ID 678 DB fairmol

Z20255081

ID 678

CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1

Formula: C20H18N4O3S3

MW: 458.59 | LogP: 4.59

TPSA: 101.13

Patterns:

Benzothiazole

Detail

Select ID 679 DB fairmol

Z16872527

ID 679

CCCn1c(=O)c2ccccc2n2c(SCc3nc4ccccc4s3)nnc12

Formula: C20H17N5OS2

MW: 407.52 | LogP: 4.36

TPSA: 65.08

Patterns:

Benzothiazole

Detail

Select ID 953 DB fairmol

OHD_Schistosoma_129

ID 953

CCOC(=O)c1ccc(-c2ccc3c(c2)[C@H](Nc2ccc4ncsc4c2)C[C@H](C)N3C(C)=O)cc1

Formula: C28H27N3O3S

MW: 485.61 | LogP: 6.44

TPSA: 71.53

Patterns:

Benzothiazole

Detail

Select ID 1055 DB fairmol

Z56777163

ID 1055

COc1ccc2c(c1)sc(N)[n+]2Cc1cc(C)cc2cccnc12

Formula: C19H18N3OS+

MW: 336.44 | LogP: 3.68

TPSA: 52.02

Patterns:

Benzothiazole

Detail

Select ID 1077 DB fairmol

Z46078212

ID 1077

COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1O

Formula: C23H16N2O2S2

MW: 416.53 | LogP: 6.21

TPSA: 55.24

Patterns:

Benzothiazole

Detail

Select ID 1214 DB fairmol

Z30199759

ID 1214

O=C(Nc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2cc([N+](=O)O)ccc2Cl)CC1

Formula: C19H18ClN4O5S2+

MW: 481.96 | LogP: 3.79

TPSA: 119.68

Patterns:

Benzothiazole

Detail

Select ID 1223 DB fairmol

Z26403785

ID 1223

Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)O)ccc4Cl)CC3)sc2c1

Formula: C20H20ClN4O5S2+

MW: 495.99 | LogP: 4.10

TPSA: 119.68

Patterns:

Benzothiazole

Detail

Select ID 1259 DB fairmol

Z27664401

ID 1259

Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(S(=O)(=O)c5cccs5)CC4)cc3)sc2c1

Formula: C24H23N3O3S3

MW: 497.67 | LogP: 5.37

TPSA: 79.37

Patterns:

Benzothiazole

Detail

Select ID 1280 DB fairmol

Z56811438

ID 1280

CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)sc2c1

Formula: C21H15F2N3O5S3

MW: 523.56 | LogP: 4.03

TPSA: 122.30

Patterns:

Benzothiazole

Detail

Select ID 1370 DB fairmol

Z45925616

ID 1370

O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc(O)c1)c1nc2ccccc2s1

Formula: C22H15ClN2O2S

MW: 406.89 | LogP: 5.83

TPSA: 62.22

Patterns:

Benzothiazole

Detail

Select ID 1491 DB fairmol

Z19654250

ID 1491

Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1

Formula: C13H11N3OS3

MW: 321.45 | LogP: 3.79

TPSA: 54.88

Patterns:

Benzothiazole

Detail

Select ID 1496 DB fairmol

Z2755722093

ID 1496

N[C@@H](CSc1nc2ccccc2s1)C(=O)O

Formula: C10H10N2O2S2

MW: 254.34 | LogP: 1.80

TPSA: 76.21

Patterns:

Benzothiazole

Detail

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