COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL333574
Chemical Name: 8-[(2E)-2-(1-benzyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-[(2Z)-3-chlorobut-2-en-1-yl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C/Cn1c(N/N=C/2\c3ccccc3N(C2=O)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C)/Cl

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Molecular Weight: 503.95
Empirical Formula: C25H22ClN7O3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.538
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 111
Number of rings: 5

     

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