General Information of the Compound
Compound ID
CP0379095
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-{3-[(methylamino)methyl]-1,2,4-oxadiazol-5-yl}hexanamide
    Show/Hide
Structure
Formula
C16H28N4O3
Molecular Weight
324.425
Canonical SMILES
CNCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
    Show/Hide
InChI
InChI=1S/C16H28N4O3/c1-17-11-14-18-16(23-20-14)13(10-15(21)19-22)9-5-8-12-6-3-2-4-7-12/h12-13,17,22H,2-11H2,1H3,(H,19,21)/t13-/m1/s1
    Show/Hide
InChIKey
BBVJGLVKAJWOKA-CYBMUJFWSA-N
Physicochemical Property
logP
2.5187
Rotatable Bonds
9
Heavy Atom Count
23
Polar Areas
100.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
23

"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: 9858438
SID: 14821630
ChEMBL ID
CHEMBL374399
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 = 23 nM
   TI
   LI
   LO
   TS