General Information of the Compound
Compound ID
CP0390089
Compound Name
1-[2-(N-(4-bromoanilino)-2-methoxyanilino)phenyl]-2-(4-bromophenyl)-1-(4-methoxyphenyl)hydrazine
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Structure
Formula
C32H28Br2N4O2
Molecular Weight
660.41
Canonical SMILES
COc1ccc(cc1)N(Nc1ccc(Br)cc1)c1ccccc1N(Nc1ccc(Br)cc1)c1ccccc1OC
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InChI
InChI=1S/C32H28Br2N4O2/c1-39-28-21-19-27(20-22-28)37(35-25-15-11-23(33)12-16-25)29-7-3-4-8-30(29)38(31-9-5-6-10-32(31)40-2)36-26-17-13-24(34)14-18-26/h3-22,35-36H,1-2H3
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InChIKey
XXWFPQWAIISCBC-UHFFFAOYSA-N
Physicochemical Property
logP
9.5592
Rotatable Bonds
10
Heavy Atom Count
40
Polar Areas
49
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
40

"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: 137655857
ChEMBL ID
CHEMBL4093446
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
CL000131 HEK293-F Homo sapiens (Human)  1
1
IC50 = 889 nM
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