COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183177
Chemical Name: (2E)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[3-methyl-4-(pyrrolidin-1-yl)phenyl]prop-2-enamide
Smiles: N#C/C(=C\c1ccc(c(c1)C)N1CCCC1)/C(=O)Nc1cc(Cl)ccc1C

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Molecular Weight: 379.89
Empirical Formula: C22H22ClN3O

Physical State: Dry powder
Available Amount: 427 mg

Lipinsky:
logP: 5.808
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 56
Number of rings: 3

     

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