COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546248
Chemical Name: N-(2-{[(1E)-1-(6-acetyl-7,9-dihydroxy-8,9b-dimethyl-1,3-dioxo-3,9b-dihydrodibenzo[b,d]furan-2(1H)-ylidene)ethyl]amino}ethyl)-3-amino-1H-1,2,4-triazole-5-carboxamide
Smiles: Nc1n[nH]c(n1)C(=O)NCCN/C(=C/1\C(=O)C=C2C(C1=O)(C)c1c(O)c(C)c(c(c1O2)C(=O)C)O)/C

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Molecular Weight: 496.48
Empirical Formula: C23H24N6O7

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.326
Rotatable bonds: 7
H-donors: 7
H-acceptors: 7
PSA: 209
Number of rings: 4

     

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