COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK385170
Chemical Name: 4-{(E)-[(6-tert-butyl-3-{[3-(trifluoromethyl)phenyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]methyl}phenylacetate
Smiles: CC(=O)Oc1ccc(cc1)/C=N/c1sc2c(c1C(=O)Nc1cccc(c1)C(F)(F)F)CCC(C2)C(C)(C)C

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Molecular Weight: 542.62
Empirical Formula: C29H29F3N2O3S

Physical State: Dry powder
Available Amount: 606 mg

Lipinsky:
logP: 8.088
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 96
Number of rings: 4

     

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