COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023506
Chemical Name: ethyl(5Z)-5-{[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-[(4-methylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Smiles: CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2cc(n(c2C)c2sc3c(c2C#N)CCCC3)C)/C1=O

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Molecular Weight: 543.71
Empirical Formula: C30H29N3O3S2

Physical State: Dry powder
Available Amount: 140 mg

Lipinsky:
logP: 7.662
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 137
Number of rings: 5

     

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