COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL551907
Chemical Name: (4aR)-5,7-dihydroxy-8-{(1E)-N-[2-(4-methoxyphenyl)ethyl]ethanimidoyl}-3,4a,6-trimethyl-1-phenyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Smiles: COc1ccc(cc1)CC/N=C(/c1c(O)c(C)c(c2c1OC1=Cc3c(C(=O)[C@]21C)c(nn3c1ccccc1)C)O)\C

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Molecular Weight: 549.63
Empirical Formula: C33H31N3O5

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 7.307
Rotatable bonds: 5
H-donors: 2
H-acceptors: 5
PSA: 106
Number of rings: 6

     

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