General Information of the Compound
Compound ID
CP0390460
Compound Name
(4S)-3-[(2S,3S)-3-hydroxy-2,5-dimethyl-4-methylidenehexanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
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Structure
Formula
C15H25NO4
Molecular Weight
283.368
Canonical SMILES
CC(C)[C@H]1COC(=O)N1C(=O)[C@@H](C)[C@H](O)C(=C)C(C)C
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InChI
InChI=1S/C15H25NO4/c1-8(2)10(5)13(17)11(6)14(18)16-12(9(3)4)7-20-15(16)19/h8-9,11-13,17H,5,7H2,1-4,6H3/t11-,12+,13+/m0/s1
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InChIKey
DFGMZWAGBSSONI-YNEHKIRRSA-N
Physicochemical Property
logP
2.199
Rotatable Bonds
5
Heavy Atom Count
20
Polar Areas
66.84
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
20

"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: 49846907
SID: 104175105
ChEMBL ID
CHEMBL3765143
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 = 20100 nM
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