COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK868306
Chemical Name: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Smiles: COc1cc(CCN/C=C\2/C(=O)N(N=C2C(F)(F)F)c2nc3c(s2)cccc3)ccc1OC

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Molecular Weight: 476.48
Empirical Formula: C22H19F3N4O3S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 6.109
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 104
Number of rings: 4

     

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