COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK669952
Chemical Name: N-[3-(benzylsulfanyl)-1-{(2E)-2-[1-(3-nitrophenyl)ethylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide(non-preferredname)
Smiles: O=C(C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CSCc1ccccc1)N/N=C(/c1cccc(c1)[N+](=O)[O-])\C

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Molecular Weight: 566.55
Empirical Formula: C25H22N6O8S

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 4.96
Rotatable bonds: 7
H-donors: 2
H-acceptors: 8
PSA: 233
Number of rings: 3

     

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