COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552082
Chemical Name: 3-[(2S,6'R)-7-chloro-2'-hydroxy-4,6-dimethoxy-6'-methyl-3,4'-dioxo-3H-spiro[1-benzofuran-2,1'-cyclohex[2]en]-3'-yl]-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-3-[4-(methylsulfanyl)phenyl]propan
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NC1CCCc2c1[nH]c1c2cc(cc1)OC

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Molecular Weight: 731.27
Empirical Formula: C39H39ClN2O8S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 8.675
Rotatable bonds: 8
H-donors: 3
H-acceptors: 8
PSA: 161
Number of rings: 7

     

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