General Information of the Compound
Compound ID
CP0516084
Compound Name
(4S)-3-[(2S,3S)-3-hydroxy-2,4-dimethylpent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
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Structure
Formula
C13H21NO4
Molecular Weight
255.314
Canonical SMILES
CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)C(C)=C
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InChI
InChI=1S/C13H21NO4/c1-7(2)10-6-18-13(17)14(10)12(16)9(5)11(15)8(3)4/h7,9-11,15H,3,6H2,1-2,4-5H3/t9-,10+,11+/m0/s1
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InChIKey
MKCFRAZLNSLMQZ-HBNTYKKESA-N
Physicochemical Property
logP
1.5629
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
66.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 49846906
SID: 104175104
ChEMBL ID
CHEMBL3765446
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05336, Interleukin-6 receptor subunit beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000063 Hep-G2 Homo sapiens (Human)  1
1
CC50 > 100000 nM
   TI
   LI
   LO
   TS