General Information of the Compound
Compound ID
CP0379098
Compound Name
(3R)-3-[3-(6-amino-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-6-cyclohexyl-Nhydroxyhexanamide
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Structure
Formula
C19H27N5O3
Molecular Weight
373.457
Canonical SMILES
Nc1ccc(cn1)-c1noc(n1)[C@H](CCCC1CCCCC1)CC(=O)NO
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InChI
InChI=1S/C19H27N5O3/c20-16-10-9-15(12-21-16)18-22-19(27-24-18)14(11-17(25)23-26)8-4-7-13-5-2-1-3-6-13/h9-10,12-14,26H,1-8,11H2,(H2,20,21)(H,23,25)/t14-/m1/s1
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InChIKey
BSZZTCBCDSTIJT-CQSZACIVSA-N
Physicochemical Property
logP
3.4435
Rotatable Bonds
8
Heavy Atom Count
27
Polar Areas
127.16
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Complexity
27

"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: 16748896
SID: 26734970
ChEMBL ID
CHEMBL226956
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 = 18 nM
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