COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL041653
Chemical Name: (5Z)-1-butyl-5-{[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Smiles: CCCCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccc(cc2)Cl)C)/C1=O

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Molecular Weight: 415.94
Empirical Formula: C21H22ClN3O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.475
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 86
Number of rings: 3

     

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