COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL387386
Chemical Name: 2-[2-chloro-5-(trifluoromethyl)phenyl]-8-(diphenylmethylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Smiles: O=C1C2C(C(=O)N1c1cc(ccc1Cl)C(F)(F)F)C1/C(=C(/c3ccccc3)\c3ccccc3)/C2C=C1

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Molecular Weight: 505.92
Empirical Formula: C29H19ClF3NO2

Physical State: Dry powder
Available Amount: 134 mg

Lipinsky:
logP: 6.249
Rotatable bonds: 0
H-donors: 0
H-acceptors: 2
PSA: 37
Number of rings: 6

     

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