General Information of the Compound
Compound ID
CP0373928
Compound Name
6-bromo-2-(2-chloro-6-fluorophenyl)-9-isopropyl-1H-phenanthro[9,10-d]imidazole
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Structure
Formula
C24H17BrClFN2
Molecular Weight
467.769
Canonical SMILES
CC(C)c1ccc2c3[nH]c(nc3c3ccc(Br)cc3c2c1)-c1c(F)cccc1Cl
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InChI
InChI=1S/C24H17BrClFN2/c1-12(2)13-6-8-15-17(10-13)18-11-14(25)7-9-16(18)23-22(15)28-24(29-23)21-19(26)4-3-5-20(21)27/h3-12H,1-2H3,(H,28,29)
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InChIKey
IFJAWEKHAKFJAP-UHFFFAOYSA-N
Physicochemical Property
logP
8.2147
Rotatable Bonds
2
Heavy Atom Count
29
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
29

"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: 24861261
SID: 50093050
ChEMBL ID
CHEMBL585110
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
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4 nM
   TI
   LI
   LO
   TS
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 2000 nM
   TI
   LI
   LO
   TS