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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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18 results for Pattern / motif query
Pattern / motif 18 results DB fairmol
Selected 0
Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.
Query interpretation
Pattern registry Vnos: benzoxazole Benzoxazole
ID 26 DB fairmol
2D structure

Z19160931

ID 26

COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@@H](C)C(N)=O)nc3c2)cc1

Formula: C17H17N3O5S2

MW: 407.47 | LogP: 2.60

TPSA: 124.52

Patterns:

Benzoxazole
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:

Benzoxazole
Detail
ID 1563 DB fairmol
2D structure

Z56792679

ID 1563

COc1ccc(/C=N\Nc2nc3ccccc3o2)cc1O

Formula: C15H13N3O3

MW: 283.29 | LogP: 2.99

TPSA: 79.88

Patterns:

Benzoxazole
Detail
ID 1570 DB fairmol
2D structure

Z19651549

ID 1570

O=C(CSc1nc2ccccc2o1)c1ccc(O)c(O)c1

Formula: C15H11NO4S

MW: 301.32 | LogP: 3.21

TPSA: 83.56

Patterns:

Benzoxazole
Detail
ID 1742 DB fairmol
2D structure

KB_chagas_122

ID 1742

O=c1oc2ccccc2n1C1CCN(Cc2ccccc2-c2cccnc2)CC1

Formula: C24H23N3O2

MW: 385.47 | LogP: 4.49

TPSA: 51.27

Patterns:

Benzoxazole
Detail
ID 1834 DB fairmol
2D structure

Z15399962

ID 1834

O=C(Cn1c(=O)oc2ccccc21)NCc1cccs1

Formula: C14H12N2O3S

MW: 288.33 | LogP: 1.97

TPSA: 64.24

Patterns:

Benzoxazole
Detail
ID 1850 DB fairmol
2D structure

Z30199023

ID 1850

O=C(Cn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1

Formula: C16H11N3O3S

MW: 325.35 | LogP: 2.84

TPSA: 77.13

Patterns:

Benzoxazole
Detail
ID 1855 DB fairmol
2D structure

Z19650983

ID 1855

Cc1cc(NC(=O)CSc2nc3ccccc3o2)no1

Formula: C13H11N3O3S

MW: 289.32 | LogP: 2.86

TPSA: 81.16

Patterns:

Benzoxazole
Detail
ID 1952 DB fairmol
2D structure

Z226979504

ID 1952

Cc1nc2c3ccccc3nc(SCc3nc4ccccc4o3)n2n1

Formula: C18H13N5OS

MW: 347.40 | LogP: 4.02

TPSA: 69.11

Patterns:

Benzoxazole
Detail
ID 2115 DB fairmol
2D structure

KB_chagas_122

ID 2115

O=c1oc2ccccc2n1[C@H]1CC[N@@H+](Cc2ccccc2-c2cccnc2)CC1

Formula: C24H24N3O2+

MW: 386.48 | LogP: 3.08

TPSA: 52.47

Patterns:

Benzoxazole
Detail
ID 2320 DB fairmol
2D structure

Z56838367

ID 2320

Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12

Formula: C14H10BrN3OS2

MW: 380.29 | LogP: 4.90

TPSA: 43.33

Patterns:

Benzoxazole
Detail
ID 2339 DB fairmol
2D structure

Z19651249

ID 2339

Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C[C@H]1CCCO1

Formula: C20H22N2O3S

MW: 370.47 | LogP: 4.40

TPSA: 57.26

Patterns:

Benzoxazole
Detail
ID 2713 DB fairmol
2D structure

Z56918206

ID 2713

COc1cc(/C=C(/C#N)c2nc3ccccc3o2)ccc1O

Formula: C17H12N2O3

MW: 292.29 | LogP: 3.61

TPSA: 79.28

Patterns:

Benzoxazole
Detail
ID 2742 DB fairmol
2D structure

Z56836235

ID 2742

COc1cc(/C=N/Nc2nc3ccccc3o2)cc(OC)c1O

Formula: C16H15N3O4

MW: 313.31 | LogP: 3.00

TPSA: 89.11

Patterns:

Benzoxazole
Detail
ID 3406 DB fairmol
2D structure

Z56792679

ID 3406

COc1ccc(/C=N/N=c2/[nH]c3ccccc3o2)cc1O

Formula: C15H13N3O3

MW: 283.29 | LogP: 2.41

TPSA: 83.11

Patterns:

Benzoxazole
Detail
ID 3562 DB fairmol
2D structure

Z25215898

ID 3562

CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3F)nc2c1

Formula: C17H16FN3O4S2

MW: 409.46 | LogP: 2.95

TPSA: 92.51

Patterns:

Benzoxazole
Detail
ID 3749 DB fairmol
2D structure

Z19160931

ID 3749

COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@H](C)C(N)=O)nc3c2)cc1

Formula: C17H17N3O5S2

MW: 407.47 | LogP: 2.60

TPSA: 124.52

Patterns:

Benzoxazole
Detail
ID 5270 DB fairmol
2D structure

Z166959692

ID 5270

O=C(Cn1c(=O)oc2cc([N+](=O)O)ccc21)Nc1nc2ccccc2s1

Formula: C16H11N4O5S+

MW: 371.35 | LogP: 2.64

TPSA: 117.44

Patterns:

Benzoxazole
Detail