General Information of the Compound
Compound ID
CP0427191
Compound Name
(3R)-3-{3-[(tert-butylamino)methyl]-1,2,4-oxadiazol-5-yl}-6-cyclohexyl-Nhydroxyhexanamide
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Structure
Formula
C19H34N4O3
Molecular Weight
366.506
Canonical SMILES
CC(C)(C)NCc1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C19H34N4O3/c1-19(2,3)20-13-16-21-18(26-23-16)15(12-17(24)22-25)11-7-10-14-8-5-4-6-9-14/h14-15,20,25H,4-13H2,1-3H3,(H,22,24)/t15-/m1/s1
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InChIKey
VPOZTXQSZFMKDK-OAHLLOKOSA-N
Physicochemical Property
logP
3.6874
Rotatable Bonds
9
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: 10109498
SID: 15098138
ChEMBL ID
CHEMBL229812
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 = 10 nM
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   LI
   LO
   TS