COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473130
Chemical Name: (2E)-2-cyano-3-[1-(2,4-dichlorobenzyl)-1H-pyrrol-2-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1cccn1Cc1ccc(cc1Cl)Cl)/C(=O)NCCc1ccc(c(c1)OC)OC

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Molecular Weight: 484.38
Empirical Formula: C25H23Cl2N3O3

Physical State: Dry powder
Available Amount: 221 mg

Lipinsky:
logP: 4.61
Rotatable bonds: 9
H-donors: 1
H-acceptors: 3
PSA: 76
Number of rings: 3

     

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