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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H24Cl2N2O
Molecular Weight 391.334
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ICI-199441

SMILES

CN([C@H](CN1CCCC1)C2=CC=CC=C2)C(=O)CC3=CC(Cl)=C(Cl)C=C3

InChI

InChIKey=AEJOEPSMZCEYJN-HXUWFJFHSA-N
InChI=1S/C21H24Cl2N2O/c1-24(21(26)14-16-9-10-18(22)19(23)13-16)20(15-25-11-5-6-12-25)17-7-3-2-4-8-17/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H24Cl2N2O
Molecular Weight 391.334
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.04 nM [Ki]
53.0 nM [Ki]
24.0 nM [Ki]
26.0 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:25:19 UTC 2023
Edited
by admin
on Sat Dec 16 15:25:19 UTC 2023
Record UNII
Q5R50X7L6M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ICI-199441
Code English
3,4-DICHLORO-N-METHYL-N-((1S)-1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)BENZENEACETAMIDE
Systematic Name English
ICI-199,441
Code English
GR-199441
Code English
BENZENEACETAMIDE, 3,4-DICHLORO-N-METHYL-N-((1S)-1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-
Systematic Name English
BENZENEACETAMIDE, 3,4-DICHLORO-N-METHYL-N-(1-PHENYL-2-(1-PYRROLIDINYL)ETHYL)-, (S)-
Systematic Name English
GR-199,441
Code English
Code System Code Type Description
EPA CompTox
DTXSID101029523
Created by admin on Sat Dec 16 15:25:19 UTC 2023 , Edited by admin on Sat Dec 16 15:25:19 UTC 2023
PRIMARY
FDA UNII
Q5R50X7L6M
Created by admin on Sat Dec 16 15:25:19 UTC 2023 , Edited by admin on Sat Dec 16 15:25:19 UTC 2023
PRIMARY
PUBCHEM
3082718
Created by admin on Sat Dec 16 15:25:19 UTC 2023 , Edited by admin on Sat Dec 16 15:25:19 UTC 2023
PRIMARY
CAS
159531-32-5
Created by admin on Sat Dec 16 15:25:19 UTC 2023 , Edited by admin on Sat Dec 16 15:25:19 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
CAS
116508-24-8
Created by admin on Sat Dec 16 15:25:19 UTC 2023 , Edited by admin on Sat Dec 16 15:25:19 UTC 2023
PRIMARY
WIKIPEDIA
ICI-199,441
Created by admin on Sat Dec 16 15:25:19 UTC 2023 , Edited by admin on Sat Dec 16 15:25:19 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> AGONIST
Related Record Type Details
ACTIVE MOIETY