COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK007854
Chemical Name: N~2~-[(1,3-benzothiazol-2-ylsulfanyl)acetyl]-N~2~-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-phenylisovalinamide
Smiles: CCC(N(c1c(=O)n(n(c1C)C)c1ccccc1)C(=O)CSc1sc2c(n1)cccc2)(C(=O)Nc1ccccc1)C

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Molecular Weight: 585.75
Empirical Formula: C31H31N5O3S2

Physical State: Dry powder
Available Amount: 90 mg

Lipinsky:
logP: 4.598
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 139
Number of rings: 5

     

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