General Information of the Compound
Compound ID
CP0532163
Compound Name
(3R)-6-cyclohexyl-N-hydroxy-3-[3-(1H-pyrazol-3-yl)-1,2,4-oxadiazol-5-yl]hexanamide
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Structure
Formula
C17H25N5O3
Molecular Weight
347.419
Canonical SMILES
ONC(=O)C[C@@H](CCCC1CCCCC1)c1nc(no1)-c1cc[nH]n1
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InChI
InChI=1S/C17H25N5O3/c23-15(21-24)11-13(8-4-7-12-5-2-1-3-6-12)17-19-16(22-25-17)14-9-10-18-20-14/h9-10,12-13,24H,1-8,11H2,(H,18,20)(H,21,23)/t13-/m1/s1
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InChIKey
WEIHNHZCYKEJPD-CYBMUJFWSA-N
Physicochemical Property
logP
3.1894
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
116.93
Hydrogen Bond Donor Count
3
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).

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PubChem ID
CID: 16748786
SID: 26734860
ChEMBL ID
CHEMBL226801
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 = 74 nM
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