General Information of the Compound
Compound ID
CP0379094
Compound Name
(3R)-3-{3-[(cyclobutylamino)methyl]-1,2,4-oxadiazol-5-yl}-6-cyclohexyl-Nhydroxyhexanamide
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Structure
Formula
C19H32N4O3
Molecular Weight
364.49
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(CNC2CCC2)no1
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InChI
InChI=1S/C19H32N4O3/c24-18(22-25)12-15(9-4-8-14-6-2-1-3-7-14)19-21-17(23-26-19)13-20-16-10-5-11-16/h14-16,20,25H,1-13H2,(H,22,24)/t15-/m1/s1
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InChIKey
STXXGOLFIDISGZ-OAHLLOKOSA-N
Physicochemical Property
logP
3.4414
Rotatable Bonds
10
Heavy Atom Count
26
Polar Areas
100.28
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
26

"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: 10270164
SID: 15275058
ChEMBL ID
CHEMBL229814
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 = 6 nM
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