COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK991456
Chemical Name: (2Z)-2-(1,3-benzothiazol-2-yl)-3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}prop-2-enenitrile
Smiles: N#C/C(=C/N1CCN(CC1)c1cccc(c1)C(F)(F)F)/c1nc2c(s1)cccc2

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Molecular Weight: 414.45
Empirical Formula: C21H17F3N4S

Physical State: Dry powder
Available Amount: 38 mg

Lipinsky:
logP: 5.367
Rotatable bonds: 1
H-donors: 0
H-acceptors: 0
PSA: 71
Number of rings: 4

     

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