General Information of the Compound
Compound ID
CP0467264
Compound Name
(3R)-3-(3-{[(aminocarbonyl)amino]methyl}-1,2,4-oxadiazol-5-yl)-6-cyclohexyl-Nhydroxyhexanamide
    Show/Hide
Structure
Formula
C16H27N5O4
Molecular Weight
353.423
Canonical SMILES
NC(=O)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
    Show/Hide
InChI
InChI=1S/C16H27N5O4/c17-16(23)18-10-13-19-15(25-21-13)12(9-14(22)20-24)8-4-7-11-5-2-1-3-6-11/h11-12,24H,1-10H2,(H,20,22)(H3,17,18,23)/t12-/m1/s1
    Show/Hide
InChIKey
HKJAZOFDJVASPW-GFCCVEGCSA-N
Physicochemical Property
logP
1.9676
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
143.37
Hydrogen Bond Donor Count
4
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10291655
SID: 15298246
ChEMBL ID
CHEMBL226778
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 = 324 nM
   TI
   LI
   LO
   TS