M-2698

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H19ClF3N5O
Molecular Weight	449.857
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=O)C1=C2N=CN=C(N[C@H](CN3CCC3)C4=CC(=C(Cl)C=C4)C(F)(F)F)C2=CC=C1

InChI

InChIKey=HXAUJHZZPCBFPN-QGZVFWFLSA-N

InChI=1S/C21H19ClF3N5O/c22-16-6-5-12(9-15(16)21(23,24)25)17(10-30-7-2-8-30)29-20-14-4-1-3-13(19(26)31)18(14)27-11-28-20/h1,3-6,9,11,17H,2,7-8,10H2,(H2,26,31)(H,27,28,29)/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H19ClF3N5O
Molecular Weight	449.857
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:44:53 GMT 2023` Edited by `admin` on `Sat Dec 16 13:44:53 GMT 2023`
Record UNII	0DXG50I4WD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

M-2698

Code

English

M2698

Code

English

8-QUINAZOLINECARBOXAMIDE, 4-(((1S)-2-(1-AZETIDINYL)-1-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)ETHYL)AMINO)-

Systematic Name

English

(S)-4-((2-(AZETIDIN-1-YL)-1-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)ETHYL)AMINO)QUINAZOLINE-8-CARBOXAMIDE

Systematic Name

English

MSC-2363318A

Code

English

MSC2363318A

Code

English

Code System Code Type Description

DRUG BANK

DB15431