COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK009608
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-4-{1-[(3-nitrophenyl)amino]ethylidene}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C(/Nc1cccc(c1)[N+](=O)[O-])\C)c1nc2c(s1)cccc2

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Molecular Weight: 536.03
Empirical Formula: C25H18ClN5O3S2

Physical State: Dry powder
Available Amount: 263 mg

Lipinsky:
logP: 7.483
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 156
Number of rings: 5

     

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