COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK616322
Chemical Name: 8-{(2E)-2-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]hydrazinyl}-7-(2,3-dihydroxypropyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: OCC(Cn1c(N/N=C/C(=C/c2ccc(cc2)[N+](=O)[O-])/Cl)nc2c1c(O)nc(=O)n2C)O

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Molecular Weight: 463.84
Empirical Formula: C18H18ClN7O6

Physical State: Dry powder
Available Amount: 129 mg

Lipinsky:
logP: 0.823
Rotatable bonds: 8
H-donors: 4
H-acceptors: 6
PSA: 181
Number of rings: 3

     

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