CP-532623

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H27F9N2O3
Molecular Weight	598.5005
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H]1C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(C)=O)C3=CC(=CC=C3N1C(=O)OC(C)C)C(F)(F)F

InChI

InChIKey=TUPKOWFPVAXQFP-OFNKIYASSA-N

InChI=1S/C27H27F9N2O3/c1-5-20-12-23(21-11-17(25(28,29)30)6-7-22(21)38(20)24(40)41-14(2)3)37(15(4)39)13-16-8-18(26(31,32)33)10-19(9-16)27(34,35)36/h6-11,14,20,23H,5,12-13H2,1-4H3/t20-,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H27F9N2O3
Molecular Weight	598.5005
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cholesteryl ester transfer protein 15 Target ID: CHEMBL3572 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19455053	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:57:13 GMT 2023` Edited by `admin` on `Fri Dec 15 15:57:13 GMT 2023`
Record UNII	5KK52HG8DY
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CP-532623

Common Name

English

(2R,4S)-4-(ACETYL(3,5-BIS(TRIFLUOROMETHYL)BENZYL)AMINO)-2-ETHYL-6-TRIFLUOROMETHYL-3,4-DIHYDRO-2H-QUINOLINE-1-CARBOXYLIC ACID ISOPROPYL ESTER

Systematic Name

English

1(2H)-QUINOLINECARBOXYLIC ACID, 4-(ACETYL((3,5-BIS(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)-2-ETHYL-3,4-DIHYDRO-6-(TRIFLUOROMETHYL)-, 1-METHYLETHYL ESTER, (2R,4S)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID7047279

Created by admin on Fri Dec 15 15:57:13 GMT 2023 , Edited by admin on Fri Dec 15 15:57:13 GMT 2023

PRIMARY

CAS

261947-38-0

Created by admin on Fri Dec 15 15:57:13 GMT 2023 , Edited by admin on Fri Dec 15 15:57:13 GMT 2023

PRIMARY

PUBCHEM

10145345

Created by admin on Fri Dec 15 15:57:13 GMT 2023 , Edited by admin on Fri Dec 15 15:57:13 GMT 2023

PRIMARY

FDA UNII

5KK52HG8DY

Created by admin on Fri Dec 15 15:57:13 GMT 2023 , Edited by admin on Fri Dec 15 15:57:13 GMT 2023

PRIMARY

Related Record Type Details


					5KK52HG8DY

CP-532623

ACTIVE MOIETY