COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK643656
Chemical Name: (2E)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-{[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,3-thiazol-2-yl)prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(c(c1)OC)O)/c1scc(n1)CSc1nc2c([nH]1)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 465.51
Empirical Formula: C21H15N5O4S2

Physical State: Dry powder
Available Amount: 267 mg

Lipinsky:
logP: 4.5
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 194
Number of rings: 4

     

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