COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK845584
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enenitrile
Smiles: N#C/C(=C\Nc1cccc(c1)C(F)(F)F)/c1nc2c(s1)cccc2

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Molecular Weight: 345.35
Empirical Formula: C17H10F3N3S

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 5.042
Rotatable bonds: 1
H-donors: 1
H-acceptors: 0
PSA: 76
Number of rings: 3

     

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