COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551713
Chemical Name: (4aR)-5,7-dihydroxy-8-[(1E)-N-(3-methoxypropyl)ethanimidoyl]-3,4a,6-trimethyl-1-phenyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Smiles: COCCC/N=C(/c1c2OC3=Cc4c(C(=O)[C@@]3(c2c(c(c1O)C)O)C)c(nn4c1ccccc1)C)\C

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Molecular Weight: 487.56
Empirical Formula: C28H29N3O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.426
Rotatable bonds: 7
H-donors: 2
H-acceptors: 5
PSA: 106
Number of rings: 5

     

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