COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK998108
Chemical Name: (2E)-N-benzyl-2-cyano-3-{2,5-dimethyl-1-[3-nitro-4-(piperidin-1-yl)phenyl]-1H-pyrrol-3-yl}prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])N1CCCCC1)C)/C(=O)NCc1ccccc1

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Molecular Weight: 483.57
Empirical Formula: C28H29N5O3

Physical State: Dry powder
Available Amount: 499 mg

Lipinsky:
logP: 6.571
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 106
Number of rings: 4

     

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