COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK030015
Chemical Name: (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(1H-indol-3-yl)ethyl]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)/NCCc1c[nH]c2c1cccc2

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Molecular Weight: 469.49
Empirical Formula: C23H18F3N5OS

Physical State: Dry powder
Available Amount: 499 mg

Lipinsky:
logP: 6.848
Rotatable bonds: 3
H-donors: 2
H-acceptors: 1
PSA: 101
Number of rings: 5

     

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