COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL158073
Chemical Name: methyl3-{(1E)-3-[(2-chlorobenzyl)amino]-2-cyano-3-oxoprop-1-en-1-yl}-1H-indole-4-carboxylate
Smiles: N#C/C(=C\c1c[nH]c2c1c(ccc2)C(=O)OC)/C(=O)NCc1ccccc1Cl

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Molecular Weight: 393.83
Empirical Formula: C21H16ClN3O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.594
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 94
Number of rings: 3

     

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