COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK150440
Chemical Name: (4-chlorophenyl){4-[4-nitro-3-(prop-2-en-1-ylamino)phenyl]piperazin-1-yl}methanone
Smiles: C=CCNc1cc(ccc1[N+](=O)[O-])N1CCN(CC1)C(=O)c1ccc(cc1)Cl

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Molecular Weight: 400.86
Empirical Formula: C20H21ClN4O3

Physical State: Dry powder
Available Amount: 227 mg

Lipinsky:
logP: 4.417
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 81
Number of rings: 3

     

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