General Information of the Compound
Compound ID
CP0093902
Compound Name
2-(2-chlorophenyl)-1H-phenanthro[9,10-d]imidazole
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Structure
Formula
C21H13ClN2
Molecular Weight
328.802
Canonical SMILES
Clc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21
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InChI
InChI=1S/C21H13ClN2/c22-18-12-6-5-11-17(18)21-23-19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(19)24-21/h1-12H,(H,23,24)
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InChIKey
WANOSZNOBPFLFO-UHFFFAOYSA-N
Physicochemical Property
logP
6.1897
Rotatable Bonds
1
Heavy Atom Count
24
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
24

"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: 10449221
SID: 15470542
ChEMBL ID
CHEMBL270718
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: PT02025, Prostaglandin E synthase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 20 nM
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