General Information of the Compound
Compound ID
CP0427386
Compound Name
(3R)-3-(3-{[acetyl(methyl)amino]methyl}-1,2,4-oxadiazol-5-yl)-6-cyclohexyl-Nhydroxyhexanamide
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Structure
Formula
C18H30N4O4
Molecular Weight
366.462
Canonical SMILES
CN(Cc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO)C(C)=O
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InChI
InChI=1S/C18H30N4O4/c1-13(23)22(2)12-16-19-18(26-21-16)15(11-17(24)20-25)10-6-9-14-7-4-3-5-8-14/h14-15,25H,3-12H2,1-2H3,(H,20,24)/t15-/m1/s1
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InChIKey
WWCNZZQQQBPRHF-OAHLLOKOSA-N
Physicochemical Property
logP
2.7776
Rotatable Bonds
9
Heavy Atom Count
26
Polar Areas
108.56
Hydrogen Bond Donor Count
2
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: 10155792
SID: 15148899
ChEMBL ID
CHEMBL226777
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 = 3 nM
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