COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183252
Chemical Name: (2E)-2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-1H-pyrrol-3-yl]-N-(2,4-dichlorophenyl)prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1sc2c(c1C#N)CCCC2)C)/C(=O)Nc1ccc(cc1Cl)Cl

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Molecular Weight: 495.43
Empirical Formula: C25H20Cl2N4OS

Physical State: Dry powder
Available Amount: 330 mg

Lipinsky:
logP: 7.277
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 109
Number of rings: 4

     

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