COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK111561
Chemical Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6-methoxy-8-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Smiles: COc1cc(cc2c1NC(c1cc(Br)c(c(c1)OC)OC)C1C2C=CC1)[N+](=O)[O-]

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Molecular Weight: 461.31
Empirical Formula: C21H21BrN2O5

Physical State: Dry powder
Available Amount: 114 mg

Lipinsky:
logP: 5.116
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 85
Number of rings: 4

     

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