General Information of the Compound
Compound ID
CP0462757
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]hexanamide
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Structure
Formula
C15H26N4O3
Molecular Weight
310.398
Canonical SMILES
NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C15H26N4O3/c16-10-13-17-15(22-19-13)12(9-14(20)18-21)8-4-7-11-5-2-1-3-6-11/h11-12,21H,1-10,16H2,(H,18,20)/t12-/m1/s1
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InChIKey
ARIPGELMXPEYAH-GFCCVEGCSA-N
Physicochemical Property
logP
2.258
Rotatable Bonds
8
Heavy Atom Count
22
Polar Areas
114.27
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 9922714
SID: 14894382
ChEMBL ID
CHEMBL229325
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 = 122 nM
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