COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552275
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-(trans-4-hydroxycyclohexyl)-3-(4-hydroxy-3-methoxyphenyl)propanamide
Smiles: COc1cc(ccc1O)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)N[C@@H]1CC[C@H](CC1)O

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Molecular Weight: 630.09
Empirical Formula: C32H36ClNO10

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.053
Rotatable bonds: 9
H-donors: 4
H-acceptors: 10
PSA: 160
Number of rings: 5

     

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