CP-615003

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H24FN3O3
Molecular Weight	373.4213
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CP-615003

Structure Search

SMILES

CCCNCCOC1=C(F)C=C(NC(=O)C2=CNC3=C2C(=O)CCC3)C=C1

InChI

InChIKey=YZHJISPIBWKWGY-UHFFFAOYSA-N

InChI=1S/C20H24FN3O3/c1-2-8-22-9-10-27-18-7-6-13(11-15(18)21)24-20(26)14-12-23-16-4-3-5-17(25)19(14)16/h6-7,11-12,22-23H,2-5,8-10H2,1H3,(H,24,26)

HIDE SMILES / InChI

Molecular Formula	C20H24FN3O3
Molecular Weight	373.4213
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 `Sat Dec 16 13:58:10 UTC 2023` Edited by `admin` on `Sat Dec 16 13:58:10 UTC 2023`
Record UNII	F8CYO0R7I1
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CP-615003

Code

English

1H-INDOLE-3-CARBOXAMIDE, N-(3-FLUORO-4-(2-(PROPYLAMINO)ETHOXY)PHENYL)-4,5,6,7-TETRAHYDRO-4-OXO-

Systematic Name

English

N-(3-FLUORO-4-(2-(PROPYLAMINO)ETHOXY)PHENYL)-4,5,6,7-TETRAHYDRO-4-OXO-1H-INDOLE-3-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

CP-615,003

Created by admin on Sat Dec 16 13:58:11 UTC 2023 , Edited by admin on Sat Dec 16 13:58:11 UTC 2023

PRIMARY

FDA UNII

F8CYO0R7I1

Created by admin on Sat Dec 16 13:58:11 UTC 2023 , Edited by admin on Sat Dec 16 13:58:11 UTC 2023

PRIMARY

PUBCHEM

9820874

Created by admin on Sat Dec 16 13:58:11 UTC 2023 , Edited by admin on Sat Dec 16 13:58:11 UTC 2023

PRIMARY

EPA CompTox

DTXSID80431338

Created by admin on Sat Dec 16 13:58:11 UTC 2023 , Edited by admin on Sat Dec 16 13:58:11 UTC 2023

PRIMARY

CAS

329016-45-7

Created by admin on Sat Dec 16 13:58:11 UTC 2023 , Edited by admin on Sat Dec 16 13:58:11 UTC 2023

PRIMARY

Related Record Type Details


					F8CYO0R7I1

CP-615003

EXCRETED UNCHANGED

Qualification:

URINE

Amount:


					F8CYO0R7I1

CP-615003

EXCRETED UNCHANGED

Qualification:

FECAL

Amount:


					6RC4EJ63I1

CP-615003 MESYLATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					EX926M9W3M

N-(3-FLUORO-4-(2-(2-HYDROXYETHYLAMINO)ETHOXY)PHENYL)-4-OXO-1,5,6,7-TETRAHYDROINDOLE-3-CARBOXAMIDE

METABOLITE -> PARENT

Qualification:

PLASMA

Amount:


					YPZ4GS5M4T

2-(2-(2-FLUORO-4-((4-OXO-1,5,6,7-TETRAHYDROINDOLE-3-CARBONYL)AMINO)PHENOXY)ETHYLAMINO)ACETIC ACID

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					NT0H1QW4F3

N-(2-(2-FLUORO-4-(((4,5,6,7-TETRAHYDRO-4-OXO-1H-INDOL-3-YL)CARBONYL)AMINO)PHENOXY)ETHYL)-N-PROPYLCARBAMIC ACID

METABOLITE -> PARENT

Qualification:

PLASMA

Amount:


					YPZ4GS5M4T

2-(2-(2-FLUORO-4-((4-OXO-1,5,6,7-TETRAHYDROINDOLE-3-CARBONYL)AMINO)PHENOXY)ETHYLAMINO)ACETIC ACID

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					YPZ4GS5M4T

2-(2-(2-FLUORO-4-((4-OXO-1,5,6,7-TETRAHYDROINDOLE-3-CARBONYL)AMINO)PHENOXY)ETHYLAMINO)ACETIC ACID

METABOLITE -> PARENT

Qualification:

PLASMA

Amount:


					EX926M9W3M

N-(3-FLUORO-4-(2-(2-HYDROXYETHYLAMINO)ETHOXY)PHENYL)-4-OXO-1,5,6,7-TETRAHYDROINDOLE-3-CARBOXAMIDE

METABOLITE -> PARENT

Qualification:

FECAL

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				P.O. ADMINISTRATION SINGLE DOSE

Tmax	PHARMACOKINETIC				P.O. ADMINISTRATION SINGLE DOSE