General Information of the Compound
Compound ID
CP0428680
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)hexanamide
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Structure
Formula
C20H27N3O3
Molecular Weight
357.454
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1ccccc1
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InChI
InChI=1S/C20H27N3O3/c24-18(22-25)14-17(13-7-10-15-8-3-1-4-9-15)20-21-19(23-26-20)16-11-5-2-6-12-16/h2,5-6,11-12,15,17,25H,1,3-4,7-10,13-14H2,(H,22,24)/t17-/m1/s1
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InChIKey
JRGFKVWNNKXSGS-QGZVFWFLSA-N
Physicochemical Property
logP
4.4663
Rotatable Bonds
8
Heavy Atom Count
26
Polar Areas
88.25
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
26

"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: 16748676
SID: 26734753
ChEMBL ID
CHEMBL226641
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 = 116 nM
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