General Information of the Compound
Compound ID
CP0565131
Compound Name
(NE)-N-[[2-[(E)-2-phenylethenyl]cyclopenten-1-yl]methylidene]hydroxylamine
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Structure
Formula
C14H15NO
Molecular Weight
213.28
Canonical SMILES
O\N=C\C1=C(CCC1)/C=C/c1ccccc1
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InChI
InChI=1S/C14H15NO/c16-15-11-14-8-4-7-13(14)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,16H,4,7-8H2/b10-9+,15-11+
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InChIKey
SYSREYZVEZEVNA-LVICEBGESA-N
Physicochemical Property
logP
3.6403
Rotatable Bonds
3
Heavy Atom Count
16
Polar Areas
32.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
16

"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: 9661137
ChEMBL ID
CHEMBL4764072
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 = 5000 nM
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