COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL052405
Chemical Name: (8E)-7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-{(2E)-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinylidene}-3,7,8,9-tetrahydro-1H-purine-2,6-dione
Smiles: C/C(=C\Cn1/c(=N/N=C(/C=C/c2ccccc2)\C)/[nH]c2c1c(=O)n(c(=O)n2C)C)/Cl

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Molecular Weight: 426.91
Empirical Formula: C21H23ClN6O2

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 4.203
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 3

     

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