COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK112503
Chemical Name: [4-(8,9-dimethyl-6-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)phenoxy]acetonitrile
Smiles: N#CCOc1ccc(cc1)C1Nc2c(cc(c(c2C2C1CC=C2)C)C)[N+](=O)[O-]

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Molecular Weight: 375.43
Empirical Formula: C22H21N3O3

Physical State: Dry powder
Available Amount: 138 mg

Lipinsky:
logP: 4.833
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 90
Number of rings: 4

     

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