GOXALAPLADIB

Details

Stereochemistry	ACHIRAL
Molecular Formula	C40H39F5N4O3
Molecular Weight	718.7547
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COCCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C(CCC5=C(F)C(F)=CC=C5)=CC(=O)C6=C4N=CC=C6

InChI

InChIKey=OBJKLVFDRLAGJI-UHFFFAOYSA-N

InChI=1S/C40H39F5N4O3/c1-52-23-22-47-20-17-32(18-21-47)48(25-27-7-9-28(10-8-27)29-11-14-31(15-12-29)40(43,44)45)37(51)26-49-33(16-13-30-4-2-6-35(41)38(30)42)24-36(50)34-5-3-19-46-39(34)49/h2-12,14-15,19,24,32H,13,16-18,20-23,25-26H2,1H3

HIDE SMILES / InChI

Molecular Formula	C40H39F5N4O3
Molecular Weight	718.7547
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:25:25 UTC 2023` Edited by `admin` on `Fri Dec 15 16:25:25 UTC 2023`
Record UNII	GNG9ZD197L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GOXALAPLADIB

Official Name

English

goxalapladib [INN]

Common Name

English

2-(2-(2-(2,3-DIFLUOROPHENYL)ETHYL)-4-OXO-1,8-NAPHTHYRIDIN-1(4H)-YL)-N-(1-(2-METHOXYETHYL)PIPERIDIN-4-YL)-N-((4'-(TRIFLUOROMETHYL)-1,1'-BIPHENYL-4-YL)METHYL)ACETAMIDE

Systematic Name

English

1,8-NAPHTHYRIDINE-1(4H)-ACETAMIDE, 2-(2-(2,3-DIFLUOROPHENYL)ETHYL)-N-(1-(2-METHOXYETHYL)-4-PIPERIDINYL)-4-OXO-N-((4'-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-4-YL)METHYL)-

Systematic Name

English

GOXALAPLADIB [USAN]

Common Name

English

2-(2-(2-(2,3-DIFLUOROPHENYL)ETHYL)-4-OXO-1,8-NAPHTHYRIDIN-1(4H)-YL)-N-(1-(2-METHOXYETHYL)PIPERIDIN-4-YL)-N-((4'-(TRIFLUOROMETHYL)BIPHENYL-4-YL)METHYL)ACETAMIDE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29703