General Information of the Compound
Compound ID
CP0379093
Compound Name
(3R)-3-{3-[(acetylamino)methyl]-1,2,4-oxadiazol-5-yl}-6-cyclohexyl-Nhydroxyhexanamide
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Structure
Formula
C17H28N4O4
Molecular Weight
352.435
Canonical SMILES
CC(=O)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C17H28N4O4/c1-12(22)18-11-15-19-17(25-21-15)14(10-16(23)20-24)9-5-8-13-6-3-2-4-7-13/h13-14,24H,2-11H2,1H3,(H,18,22)(H,20,23)/t14-/m1/s1
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InChIKey
BDZNNVUFCZJWCJ-CQSZACIVSA-N
Physicochemical Property
logP
2.4354
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
117.35
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: 9968401
SID: 14945456
ChEMBL ID
CHEMBL390930
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 = 19 nM
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