COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL084022
Chemical Name: 1-[6-({2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}sulfanyl)pyrimidin-4-yl]-N-cyclopropyl-1H-pyrazole-3-carboxamide
Smiles: O=C(NCc1ccc2c(c1)OCO2)CSc1ncnc(c1)n1ccc(n1)C(=O)NC1CC1

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Molecular Weight: 452.49
Empirical Formula: C21H20N6O4S

Physical State: Dry powder
Available Amount: 92 mg

Lipinsky:
logP: 0.866
Rotatable bonds: 7
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 5

     

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