BAY-2666605

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H12F4N2O2
Molecular Weight	352.283
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1OC(=O)NN=C1C2=CC=C(C3=CC=C(F)C=C3)C(=C2)C(F)(F)F

InChI

InChIKey=JNTJTCXFIXNXDV-VIFPVBQESA-N

InChI=1S/C17H12F4N2O2/c1-9-15(22-23-16(24)25-9)11-4-7-13(14(8-11)17(19,20)21)10-2-5-12(18)6-3-10/h2-9H,1H3,(H,23,24)/t9-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H12F4N2O2
Molecular Weight	352.283
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 16:55:06 UTC 2023` Edited by `admin` on `Sat Dec 16 16:55:06 UTC 2023`
Record UNII	XC4ZA6OSY6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BAY-2666605

Code

English

2H-1,3,4-OXADIAZIN-2-ONE, 5-(4'-FLUORO-2-(TRIFLUOROMETHYL)(1,1'-BIPHENYL)-4-YL)-3,6-DIHYDRO-6-METHYL-, (6S)-

Systematic Name

English

BAY 2666605

Code

English

Code System Code Type Description

CAS

2275774-60-0

Created by admin on Sat Dec 16 16:55:06 UTC 2023 , Edited by admin on Sat Dec 16 16:55:06 UTC 2023

PRIMARY

PUBCHEM

137465182

Created by admin on Sat Dec 16 16:55:06 UTC 2023 , Edited by admin on Sat Dec 16 16:55:06 UTC 2023

PRIMARY

NCI_THESAURUS

C180380

Created by admin on Sat Dec 16 16:55:06 UTC 2023 , Edited by admin on Sat Dec 16 16:55:06 UTC 2023

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FDA UNII

XC4ZA6OSY6

Created by admin on Sat Dec 16 16:55:06 UTC 2023 , Edited by admin on Sat Dec 16 16:55:06 UTC 2023

PRIMARY

Related Record Type Details


					H5WG3GS7FV

SCHLAFEN FAMILY MEMBER 12

TARGET -> INDUCER

Comments:

triggers the formation of a complex between Schlafen family member 12 (SLFN12) and phosphodiesterase 3 (PDE3), which induces cell death in human cancer cells expressing both proteins

Interaction Type:

IN-VIVO

Amount:

Related Record Type Details


					XC4ZA6OSY6

BAY-2666605

ACTIVE MOIETY

Amount:

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
BRAIN/PLASMA RATIO	PHARMACOKINETIC