COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK191826
Chemical Name: (5E)-1-(3-chlorophenyl)-5-[(2,5-dimethyl-1-{4-[(4-nitrophenyl)sulfanyl]phenyl}-1H-pyrrol-3-yl)methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)Sc2ccc(cc2)[N+](=O)[O-])C)/C1=O

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Molecular Weight: 589.09
Empirical Formula: C29H21ClN4O4S2

Physical State: Dry powder
Available Amount: 819 mg

Lipinsky:
logP: 7.433
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 157
Number of rings: 5

     

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