COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK011402
Chemical Name: 2-(4H-1,2,4-triazol-3-ylsulfanyl)-1-(2,2,4-trimethyl-6-tritylquinolin-1(2H)-yl)ethanone
Smiles: O=C(N1c2ccc(cc2C(=CC1(C)C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)CSc1nnc[nH]1

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Molecular Weight: 556.73
Empirical Formula: C35H32N4OS

Physical State: Dry powder
Available Amount: 131 mg

Lipinsky:
logP: 8.272
Rotatable bonds: 3
H-donors: 1
H-acceptors: 1
PSA: 87
Number of rings: 6

     

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