COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK671692
Chemical Name: 3-(5-chloro-1,3-benzoxazol-2-yl)-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]aniline
Smiles: Clc1ccc2c(c1)nc(o2)c1cccc(c1)/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 421.8
Empirical Formula: C21H12ClN3O5

Physical State: Dry powder
Available Amount: 13 mg

Lipinsky:
logP: 5.267
Rotatable bonds: 2
H-donors: 0
H-acceptors: 5
PSA: 102
Number of rings: 5

     

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