COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090066
Chemical Name: (5E)-5-{[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2OC)[N+](=O)[O-])C)/C1=O

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Molecular Weight: 440.48
Empirical Formula: C21H20N4O5S

Physical State: Dry powder
Available Amount: 193 mg

Lipinsky:
logP: 4.041
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 141
Number of rings: 3

     

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