COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK985735
Chemical Name: methyl2-[({[5-(3-chloro-4-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1nc2[nH]ncc2c(=O)n1c1ccc(c(c1)Cl)OC

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Molecular Weight: 499.93
Empirical Formula: C22H18ClN5O5S

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 3.393
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 151
Number of rings: 4

     

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