COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK744337
Chemical Name: 2-[(9H-purin-6-ylsulfanyl)methyl]-3-[3-(trifluoromethyl)phenyl]quinazolin-4(3H)-one
Smiles: O=c1n(c2cccc(c2)C(F)(F)F)c(CSc2ncnc3c2nc[nH]3)nc2c1cccc2

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Molecular Weight: 454.44
Empirical Formula: C21H13F3N6OS

Physical State: Dry powder
Available Amount: 68 mg

Lipinsky:
logP: 3.071
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 112
Number of rings: 5

     

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