COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868468
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(thiophen-2-ylmethyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: C/C(=C\1/C(=O)N(N=C1C(F)(F)F)c1nc2c(s1)cccc2)/NCc1cccs1

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Molecular Weight: 422.45
Empirical Formula: C18H13F3N4OS2

Physical State: Dry powder
Available Amount: 612 mg

Lipinsky:
logP: 6.294
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 114
Number of rings: 4

     

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