COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK985866
Chemical Name: methyl4-[({[5-(3,4-difluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=O)CSc1nc2[nH]ncc2c(=O)n1c1ccc(c(c1)F)F

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Molecular Weight: 471.44
Empirical Formula: C21H15F2N5O4S

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 3.086
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 142
Number of rings: 4

     

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