COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK473460
Chemical Name: propan-2-yl2-{[(2E)-2-cyano-3-{1-[3-(trifluoromethyl)benzyl]-1H-indol-3-yl}prop-2-enoyl]amino}thiophene-3-carboxylate
Smiles: N#C/C(=C\c1cn(c2c1cccc2)Cc1cccc(c1)C(F)(F)F)/C(=O)Nc1sccc1C(=O)OC(C)C

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Molecular Weight: 537.56
Empirical Formula: C28H22F3N3O3S

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 8.274
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 112
Number of rings: 4

     

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