COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK587945
Chemical Name: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-[3-(3-methylbutoxy)phenyl]-5-(pyridin-3-ylmethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Smiles: CC(CCOc1cccc(c1)C1N(Cc2cccnc2)C(=O)c2c1c([nH]n2)c1cc(Cl)c(cc1O)C)C

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Molecular Weight: 517.03
Empirical Formula: C29H29ClN4O3

Physical State: Dry powder
Available Amount: 394 mg

Lipinsky:
logP: 4.067
Rotatable bonds: 9
H-donors: 2
H-acceptors: 3
PSA: 91
Number of rings: 5

     

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