General Information of the Compound
Compound ID
CP0274379
Compound Name
(R)-N-benzyl-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
    Show/Hide
Structure
Formula
C23H32N4O4
Molecular Weight
428.533
Canonical SMILES
CN(Cc1ccccc1)C(=O)c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
    Show/Hide
InChI
InChI=1S/C23H32N4O4/c1-27(16-18-11-6-3-7-12-18)23(29)21-24-22(31-26-21)19(15-20(28)25-30)14-8-13-17-9-4-2-5-10-17/h3,6-7,11-12,17,19,30H,2,4-5,8-10,13-16H2,1H3,(H,25,28)/t19-/m1/s1
    Show/Hide
InChIKey
JRIDLXYLYGFXAV-LJQANCHMSA-N
Physicochemical Property
logP
4.0715
Rotatable Bonds
10
Heavy Atom Count
31
Polar Areas
108.56
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
31

"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: 10180993
SID: 15176477
ChEMBL ID
CHEMBL482319
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 = 65 nM
   TI
   LI
   LO
   TS