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Regex Pattern / motif 18 results

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18 results for Pattern / motif query

Cards

Pattern / motif 18 results DB fairmol

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Query interpretation

Pattern registry Vnos: benzothiophene Benzothiophene

Select ID 32 DB fairmol

KB_chagas_102

ID 32

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Benzothiophene

Detail

Select ID 585 DB fairmol

Z56789391

ID 585

O=C(N/N=C\c1sc2ccccc2c1O)c1ccc(O)cc1O

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.78

TPSA: 102.15

Patterns:

Benzothiophene

Detail

Select ID 702 DB fairmol

KB_chagas_164

ID 702

CN(Cc1cc2ccccc2s1)c1ncc2c(N)nc(N)[nH+]c2n1

Formula: C16H16N7S+

MW: 338.42 | LogP: 1.85

TPSA: 108.09

Patterns:

Benzothiophene

Detail

Select ID 762 DB fairmol

KB_chagas_162

ID 762

Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(F)cccc3s2)C1

Formula: C18H18FN3OS

MW: 343.43 | LogP: 4.02

TPSA: 38.13

Patterns:

Benzothiophene

Detail

Select ID 870 DB fairmol

Z56789391

ID 870

O=C1C=C(O)C=C/C1=C(\O)N/N=C/c1sc2ccccc2c1O

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Benzothiophene

Detail

Select ID 876 DB fairmol

Z31996173

ID 876

NC(=O)c1ccc(NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1

Formula: C18H14ClN3O3S

MW: 387.85 | LogP: 3.02

TPSA: 101.29

Patterns:

Benzothiophene

Detail

Select ID 926 DB fairmol

OHD_TC1_109

ID 926

CCC(=O)CCCCC[C@@H](OCc1ccncc1)c1[nH]c(-c2cc3ccccc3s2)c[nH+]1

Formula: C26H30N3O2S+

MW: 448.61 | LogP: 6.29

TPSA: 69.12

Patterns:

Benzothiophene

Detail

Select ID 1046 DB fairmol

Z30858102

ID 1046

NS(=O)(=O)c1ccc(CCNC(=O)c2sc3ccccc3c2Cl)cc1

Formula: C17H15ClN2O3S2

MW: 394.91 | LogP: 3.17

TPSA: 89.26

Patterns:

Benzothiophene

Detail

Select ID 1124 DB fairmol

KB_chagas_102

ID 1124

Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Benzothiophene

Detail

Select ID 2225 DB fairmol

KB_chagas_102

ID 2225

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Benzothiophene

Detail

Select ID 2589 DB fairmol

Z56778237

ID 2589

O/C(COc1ccccc1)=N\N=C/c1sc2ccccc2c1O

Formula: C17H14N2O3S

MW: 326.38 | LogP: 3.98

TPSA: 74.41

Patterns:

Benzothiophene

Detail

Select ID 2847 DB fairmol

Z754931262

ID 2847

O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12

Formula: C28H27NO4S

MW: 473.59 | LogP: 6.08

TPSA: 70.00

Patterns:

Benzothiophene

Detail

Select ID 2950 DB fairmol

OHD_TC1_136

ID 2950

COc1ccc2oc(-c3csc4ccccc34)c(O)c(=O)c2c1

Formula: C18H12O4S

MW: 324.36 | LogP: 4.39

TPSA: 59.67

Patterns:

Benzothiophene

Detail

Select ID 3037 DB fairmol

KB_HAT_33

ID 3037

COc1cccc2sc(CN(C)C(=O)[C@@H]3CNCCN3c3ccc(F)cc3)c(C)c12

Formula: C23H26FN3O2S

MW: 427.55 | LogP: 3.79

TPSA: 44.81

Patterns:

Benzothiophene

Detail

Select ID 3479 DB fairmol

Z56789391

ID 3479

O=C(N/N=C/c1sc2ccccc2c1O)c1ccc(O)cc1O

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.78

TPSA: 102.15

Patterns:

Benzothiophene

Detail

Select ID 3606 DB fairmol

KB_chagas_164

ID 3606

CN(Cc1cc2ccccc2s1)c1ncc2c(N)nc(N)nc2n1

Formula: C16H15N7S

MW: 337.41 | LogP: 2.44

TPSA: 106.84

Patterns:

Benzothiophene

Detail

Select ID 4925 DB fairmol

Z56789391

ID 4925

O=C1C=C/C(=C(\O)N/N=C\c2sc3ccccc3c2O)C(O)=C1

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Benzothiophene

Detail

Select ID 5555 DB fairmol

Z56789391

ID 5555

O=C1C=C(O)C=C/C1=C(\O)N/N=C\c1sc2ccccc2c1O

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Benzothiophene

Detail