COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK443770
Chemical Name: (2E)-2-cyano-3-[1-(2,4-dichlorobenzyl)-1H-pyrrol-2-yl]-N-[1-(2,5-dimethylphenyl)ethyl]prop-2-enamide
Smiles: N#C/C(=C\c1cccn1Cc1ccc(cc1Cl)Cl)/C(=O)NC(c1cc(C)ccc1C)C

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Molecular Weight: 452.38
Empirical Formula: C25H23Cl2N3O

Physical State: Dry powder
Available Amount: 699 mg

Lipinsky:
logP: 6.071
Rotatable bonds: 6
H-donors: 1
H-acceptors: 1
PSA: 57
Number of rings: 3

     

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