COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552334
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]-3-[4-(methylsulfanyl)phenyl]-N-(2-{[(4-nitro-1H-pyrazol-1-yl)acetyl]amino}ethyl)prop
Smiles: CSc1ccc(cc1)C(C1=C(O)[C@]2([C@@H](CC1=O)C)Oc1c(C2=O)c(OC)cc(c1Cl)OC)CC(=O)NCCNC(=O)Cn1ncc(c1)[N+](=O)[O-]

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Molecular Weight: 728.18
Empirical Formula: C33H34ClN5O10S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.622
Rotatable bonds: 11
H-donors: 3
H-acceptors: 10
PSA: 229
Number of rings: 5

     

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