COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK624170
Chemical Name: 3-[2-chloro-5-(trifluoromethyl)phenyl]-1-methyl-1-[(4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-5-yl)methyl]thiourea
Smiles: S=C(N(Cc1cc2cccc3c2n(c1=O)CC3)C)Nc1cc(ccc1Cl)C(F)(F)F

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Molecular Weight: 451.9
Empirical Formula: C21H17ClF3N3OS

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 4.753
Rotatable bonds: 2
H-donors: 1
H-acceptors: 1
PSA: 67
Number of rings: 4

     

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