COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK191824
Chemical Name: (5E)-1-(3-chlorophenyl)-5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: Clc1cccc(c1)N1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)[N+](=O)[O-])C)/C1=O

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Molecular Weight: 480.93
Empirical Formula: C23H17ClN4O4S

Physical State: Dry powder
Available Amount: 115 mg

Lipinsky:
logP: 5.363
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 132
Number of rings: 4

     

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