COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK375150
Chemical Name: 2-chloro-N-[(1E)-1-[4-(diethylamino)phenyl]-3-{(2E)-2-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-3-oxoprop-1-en-2-yl]benzamide
Smiles: CCN(c1ccc(cc1)/C=C(\C(=O)N/N=C/c1cc2OCOc2cc1[N+](=O)[O-])/NC(=O)c1ccccc1Cl)CC

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Molecular Weight: 564
Empirical Formula: C28H26ClN5O6

Physical State: Dry powder
Available Amount: 113 mg

Lipinsky:
logP: 6.876
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 138
Number of rings: 4

     

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