COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK375146
Chemical Name: 2-chloro-N-[(1E)-1-[4-(dimethylamino)phenyl]-3-{(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: O=C(/C(=C\c1ccc(cc1)N(C)C)/NC(=O)c1ccccc1Cl)N/N=C/c1cc2OCOc2cc1[N+](=O)[O-]

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Molecular Weight: 535.94
Empirical Formula: C26H22ClN5O6

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 5.813
Rotatable bonds: 3
H-donors: 2
H-acceptors: 6
PSA: 138
Number of rings: 4

     

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