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Regex Pattern / motif 235 results

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235 results for Pattern / motif query

Cards

Pattern / motif 235 results DB fairmol

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Query interpretation

Pattern registry Vnos: bromine Bromine

Select ID 1 DB fairmol

OHD_TC2_31

ID 1

NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2Cl)o1

Formula: C12H9BrClN3OS

MW: 358.65 | LogP: 3.53

TPSA: 63.55

Patterns:

Bromine

Detail

Select ID 12 DB fairmol

Z45901653

ID 12

O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(C(=S)NCc2ccccc2)CC1

Formula: C18H19BrClN3O2S2

MW: 488.86 | LogP: 3.48

TPSA: 52.65

Patterns:

Bromine

Detail

Select ID 14 DB fairmol

OHD_TC1_72

ID 14

Clc1cc(Br)ccc1-c1ccc(C[NH2+]CC2CC[NH2+]CC2)o1

Formula: C17H22BrClN2O+2

MW: 385.73 | LogP: 2.40

TPSA: 46.36

Patterns:

Bromine

Detail

Select ID 19 DB fairmol

KB_HAT_186

ID 19

O=c1[nH]c(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)nc2ccsc12

Formula: C16H17Br2N4OS+

MW: 473.21 | LogP: 3.08

TPSA: 74.39

Patterns:

Bromine

Detail

Select ID 28 DB fairmol

Z56784505

ID 28

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Br)cc1)c1cccs1

Formula: C23H19BrN4O2S

MW: 495.40 | LogP: 4.48

TPSA: 86.35

Patterns:

Bromine

Detail

Select ID 42 DB fairmol

Z49724748

ID 42

Cc1cc(SCC(=O)N/N=C\c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Bromine

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:

Bromine

Detail

Select ID 116 DB fairmol

OHD_Leishmania_441

ID 116

COC(=O)c1c(C)ncn1CC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12

Formula: C24H20Br2N4O2

MW: 556.26 | LogP: 6.30

TPSA: 75.70

Patterns:

Bromine

Detail

Select ID 127 DB fairmol

OHD_TB2019_4

ID 127

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CCN(C2CCCC2)CC1

Formula: C27H31BrN5O2+

MW: 537.48 | LogP: 3.10

TPSA: 70.40

Patterns:

Bromine

Detail

Select ID 131 DB fairmol

KB_HAT_115

ID 131

CS(=O)(=O)N[C@H]1CC[C@H](Nc2ncc(Br)c(Nc3ccccc3C(N)=O)n2)CC1

Formula: C18H23BrN6O3S

MW: 483.39 | LogP: 2.35

TPSA: 139.10

Patterns:

Bromine

Detail

Select ID 145 DB fairmol

Z33269755

ID 145

COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1S(=O)(=O)Nc1ccc(Br)cc1

Formula: C22H18BrN3O5S2

MW: 548.44 | LogP: 4.56

TPSA: 113.60

Patterns:

Bromine

Detail

Select ID 150 DB fairmol

OHD_ACDS_44

ID 150

O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1ccco1

Formula: C23H17Br2N3O2

MW: 527.22 | LogP: 6.33

TPSA: 73.82

Patterns:

Bromine

Detail

Select ID 162 DB fairmol

OHD_ACDS_48

ID 162

O=S(=O)(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1cccs1

Formula: C22H17Br2N3O2S2

MW: 579.34 | LogP: 6.35

TPSA: 77.75

Patterns:

Bromine

Detail

Select ID 193 DB fairmol

KB_chagas_52

ID 193

COc1ccc2nccc([C@H](O)C[N@@H+]3CC[C@H](NC(=O)c4ccc(Br)cc4)[C@@H](O)C3)c2n1

Formula: C23H26BrN4O4+

MW: 502.39 | LogP: 0.88

TPSA: 109.01

Patterns:

Bromine

Detail

Select ID 246 DB fairmol

KB_HAT_116

ID 246

O=C1NCc2cccc(Nc3nc(N[C@H]4CC[C@H](O)CC4)ncc3Br)c21

Formula: C18H20BrN5O2

MW: 418.30 | LogP: 2.94

TPSA: 99.17

Patterns:

Bromine

Detail

Select ID 250 DB fairmol

OHD_ACDS_38

ID 250

Brc1ccc2c(C(CNCc3cccs3)c3c[nH]c4cc(Br)ccc34)c[nH]c2c1

Formula: C23H19Br2N3S

MW: 529.30 | LogP: 7.16

TPSA: 43.61

Patterns:

Bromine

Detail

Select ID 267 DB fairmol

OHD_ACDS_33

ID 267

Fc1ccc(CNCC(c2c[nH]c3cc(Br)ccc23)c2c[nH]c3cc(Br)ccc23)cc1

Formula: C25H20Br2FN3

MW: 541.26 | LogP: 7.24

TPSA: 43.61

Patterns:

Bromine

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:

Bromine

Detail

Select ID 330 DB fairmol

OHD_ACDS_35

ID 330

O=[N+](O)c1ccc(C[NH2+]CC(c2c[nH]c3cc(Br)ccc23)c2c[nH]c3cc(Br)ccc23)cc1

Formula: C25H22Br2N4O2+2

MW: 570.29 | LogP: 5.87

TPSA: 88.50

Patterns:

Bromine

Detail

Select ID 332 DB fairmol

OHD_ACDS_43

ID 332

COc1ccc(C(=O)NCC(c2c[nH]c3cc(Br)ccc23)c2c[nH]c3cc(Br)ccc23)cc1

Formula: C26H21Br2N3O2

MW: 567.28 | LogP: 6.74

TPSA: 69.91

Patterns:

Bromine

Detail

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