COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL447118
Chemical Name: (4E)-4-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-2-(1,3-benzothiazol-2-yl)-5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
Smiles: Clc1ccc(cc1)SCC1=NN(C(=O)/C/1=C/NCc1ccc2c(c1)OCO2)c1nc2c(s1)cccc2

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Molecular Weight: 535.05
Empirical Formula: C26H19ClN4O3S2

Physical State: Dry powder
Available Amount: 102 mg

Lipinsky:
logP: 6.943
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 129
Number of rings: 6

     

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