General Information of the Compound
Compound ID
CP0462759
Compound Name
(3R)-6-cyclohexyl-3-[3-(2-furyl)-1,2,4-oxadiazol-5-yl]-N-hydroxyhexanamide
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Structure
Formula
C18H25N3O4
Molecular Weight
347.415
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1ccco1
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InChI
InChI=1S/C18H25N3O4/c22-16(20-23)12-14(9-4-8-13-6-2-1-3-7-13)18-19-17(21-25-18)15-10-5-11-24-15/h5,10-11,13-14,23H,1-4,6-9,12H2,(H,20,22)/t14-/m1/s1
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InChIKey
GWIMDVALFWZPLE-CQSZACIVSA-N
Physicochemical Property
logP
4.0593
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
101.39
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 16748788
SID: 26734862
ChEMBL ID
CHEMBL375963
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: PT01896, Bone morphogenetic protein 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 46 nM
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