COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037436
Chemical Name: 7-[(2E)-3-chlorobut-2-en-1-yl]-8-{(2E)-2-[4-(dimethylamino)benzylidene]hydrazinyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: C/C(=C\Cn1c(N/N=C/c2ccc(cc2)N(C)C)nc2c1c(O)nc(=O)n2C)/Cl

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Molecular Weight: 415.88
Empirical Formula: C19H22ClN7O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.366
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 98
Number of rings: 3

     

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