General Information of the Compound
Compound ID
CP0497495
Compound Name
2,3-diphenyl-1H-indole
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Synonyms
1H-Indole, 2,3-diphenyl-
1H-Indole,3-diphenyl-
2,3-Diphenyl-1H-indole
2,3-Diphenyl-1H-indole #
2,3-Diphenylindole
2,3-diphenyl-1H-indole
3469-20-3
7J-655S
AC1L2S6L
AC1Q1HUE
AC1Q4W1P
ACM3469203
ACN-036136
AK-81890
AKOS001022174
BDBM50175411
CC-07034
CCG-46312
CHEMBL200719
CTK1C3291
Cyto5A2
DTXSID50188241
EINECS 222-432-0
GYGKJNGSQQORRG-UHFFFAOYSA-N
Indole, 2,3-diphenyl-
Indole,3-diphenyl-
KS-00000FNK
MCULE-8938765915
MolPort-001-804-408
NSC-17363
NSC17363
Oprea1_738570
QC-2111
RW3400
SCHEMBL3864662
STK080838
VI30149
ZINC1036850
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Structure
Formula
C20H15N
Molecular Weight
269.347
Canonical SMILES
c1ccc(cc1)-c1[nH]c2ccccc2c1-c1ccccc1
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InChI
InChI=1S/C20H15N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)21-20(19)16-11-5-2-6-12-16/h1-14,21H
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InChIKey
GYGKJNGSQQORRG-UHFFFAOYSA-N
CAS
3469-20-3
Physicochemical Property
logP
5.5019
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
15.79
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
0
Complexity
21

"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: 77020
SID: 16060039
ChEMBL ID
CHEMBL200719
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: PT00886, Estrogen receptor
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 6950 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT00889, Estrogen receptor beta
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 171 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2,3-diphenyl-1H-indole )
Drug Name 2,3-diphenyl-1H-indole
Target(s)
Estrogen receptor beta (ESR2)
 Target Info 
Inhibitor
Estrogen receptor (ESR)
 Target Info 
Inhibitor