COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK381671
Chemical Name: (2E)-N-(3-chloro-2-methylphenyl)-2-cyano-3-{1-[4-(cyclohexylamino)-3-nitrophenyl]-2,5-dimethyl-1H-pyrrol-3-yl}prop-2-enamide
Smiles: N#C/C(=C\c1cc(n(c1C)c1ccc(c(c1)[N+](=O)[O-])NC1CCCCC1)C)/C(=O)Nc1cccc(c1C)Cl

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Molecular Weight: 532.04
Empirical Formula: C29H30ClN5O3

Physical State: Dry powder
Available Amount: 128 mg

Lipinsky:
logP: 8.557
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 115
Number of rings: 4

     

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