COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK754229
Chemical Name: 1,5-dimethyl-4-{[(Z)-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
Smiles: [O-][N+](=O)c1cc(ccc1Sc1nc2c(s1)cc(cc2)[N+](=O)[O-])/C=N\c1c(C)n(n(c1=O)c1ccccc1)C

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Molecular Weight: 546.59
Empirical Formula: C25H18N6O5S2

Physical State: Dry powder
Available Amount: 79 mg

Lipinsky:
logP: 5.464
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 193
Number of rings: 5

     

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