General Information of the Compound
Compound ID
CP0562010
Compound Name
(NE)-N-[[2-[(E)-2-(4-methylphenyl)ethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
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Structure
Formula
C15H17NO
Molecular Weight
227.307
Canonical SMILES
Cc1ccc(\C=C\C2=C(CCC2)/C=N/O)cc1
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InChI
InChI=1S/C15H17NO/c1-12-5-7-13(8-6-12)9-10-14-3-2-4-15(14)11-16-17/h5-11,17H,2-4H2,1H3/b10-9+,16-11+
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InChIKey
HMYUURWDYOCWKV-AKYRVGECSA-N
Physicochemical Property
logP
3.94872
Rotatable Bonds
3
Heavy Atom Count
17
Polar Areas
32.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 142575040
ChEMBL ID
CHEMBL4790497
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: PT07116, Fibroblast growth factor 23
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 200 nM
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