General Information of the Compound
Compound ID
CP0128115
Compound Name
(R)-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N,N-dimethyl-1,2,4-oxadiazole-3-carboxamide
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Structure
Formula
C17H28N4O4
Molecular Weight
352.435
Canonical SMILES
CN(C)C(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C17H28N4O4/c1-21(2)17(23)15-18-16(25-20-15)13(11-14(22)19-24)10-6-9-12-7-4-3-5-8-12/h12-13,24H,3-11H2,1-2H3,(H,19,22)/t13-/m1/s1
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InChIKey
FRASWKFJOBLAQF-CYBMUJFWSA-N
Physicochemical Property
logP
2.5011
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
108.56
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: 9924640
SID: 14896409
ChEMBL ID
CHEMBL226686
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 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9.3 nM