COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071137
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(5-chloro-2-methoxyphenyl)amino]propylidene}-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: CC/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)CSc1ccc(cc1)Cl)/Nc1cc(Cl)ccc1OC

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Molecular Weight: 569.53
Empirical Formula: C27H22Cl2N4O2S2

Physical State: Dry powder
Available Amount: 424 mg

Lipinsky:
logP: 8.646
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 120
Number of rings: 5

     

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