COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL562110
Chemical Name: (4aR)-5,7-dihydroxy-8-(4-hydroxy-2-thioxo-1,2-dihydropyrido[2,3-d]pyrimidin-7-yl)-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(c3c1ccc2c(n1)[nH]c(=S)nc2O)O)C)C

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Molecular Weight: 581.61
Empirical Formula: C30H23N5O6S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.534
Rotatable bonds: 4
H-donors: 4
H-acceptors: 6
PSA: 183
Number of rings: 7

     

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