General Information of the Compound
Compound ID
CP0163469
Compound Name
(R)-ethyl 5-(1-(hydroxyamino)-1-oxo-6-phenylhexan-3-yl)-1,2,4-oxadiazole-3-carboxylate
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Structure
Formula
C17H21N3O5
Molecular Weight
347.371
Canonical SMILES
CCOC(=O)c1noc(n1)[C@H](CCCc1ccccc1)CC(=O)NO
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InChI
InChI=1S/C17H21N3O5/c1-2-24-17(22)15-18-16(25-20-15)13(11-14(21)19-23)10-6-9-12-7-4-3-5-8-12/h3-5,7-8,13,23H,2,6,9-11H2,1H3,(H,19,21)/t13-/m1/s1
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InChIKey
ZPTQFUMRMHOLBG-CYBMUJFWSA-N
Physicochemical Property
logP
2.2483
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
114.55
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
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: 44425150
ChEMBL ID
CHEMBL229375
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 = 6600 nM
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