COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099377
Chemical Name: (5-chloro-2-{[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]amino}phenyl)(phenyl)methanone
Smiles: Clc1ccc(c(c1)C(=O)c1ccccc1)/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 408.8
Empirical Formula: C21H13ClN2O5

Physical State: Dry powder
Available Amount: 169 mg

Lipinsky:
logP: 5.625
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 93
Number of rings: 4

     

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