COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK953290
Chemical Name: (2E)-2-(1,3-benzothiazol-2-yl)-3-{1-methyl-5-[3-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}prop-2-enenitrile
Smiles: N#C/C(=C\c1ccc(n1C)c1cccc(c1)C(F)(F)F)/c1nc2c(s1)cccc2

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Molecular Weight: 409.43
Empirical Formula: C22H14F3N3S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 6.661
Rotatable bonds: 3
H-donors: 0
H-acceptors: 0
PSA: 69
Number of rings: 4

     

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