COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL561927
Chemical Name: (4aR)-8-[(2E)-3-(dimethylamino)prop-2-enoyl]-5,7-dihydroxy-1-(4-methoxyphenyl)-3,4a,6-trimethyl-1,4a-dihydro-4H-[1]benzofuro[3,2-f]indazol-4-one
Smiles: COc1ccc(cc1)n1nc(c2c1C=C1Oc3c([C@]1(C2=O)C)c(O)c(c(c3C(=O)/C=C/N(C)C)O)C)C

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Molecular Weight: 501.54
Empirical Formula: C28H27N3O6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.343
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 114
Number of rings: 5

     

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