General Information of the Compound
Compound ID
CP0497479
Compound Name
(1S,2S)-N-hydroxy-2-[4-[(3-phenoxyphenyl)methylamino]phenyl]cyclopropane-1-carboxamide
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Structure
Formula
C23H22N2O3
Molecular Weight
374.44
Canonical SMILES
ONC(=O)[C@H]1C[C@@H]1c1ccc(NCc2cccc(Oc3ccccc3)c2)cc1
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InChI
InChI=1S/C23H22N2O3/c26-23(25-27)22-14-21(22)17-9-11-18(12-10-17)24-15-16-5-4-8-20(13-16)28-19-6-2-1-3-7-19/h1-13,21-22,24,27H,14-15H2,(H,25,26)/t21-,22+/m1/s1
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InChIKey
BRCYLYCBRKNPOD-YADHBBJMSA-N
Physicochemical Property
logP
4.6999
Rotatable Bonds
7
Heavy Atom Count
28
Polar Areas
70.59
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
28

"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: 44409676
ChEMBL ID
CHEMBL203297
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: PT02793, Free fatty acid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 14.79 nM
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