3-PHENYL-5H-INDENO(1,2-C)PYRIDAZIN-5-ONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H10N2O
Molecular Weight	258.2741
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-PHENYL-5H-INDENO(1,2-C)PYRIDAZIN-5-ONE

Structure Search

SMILES

O=C1C2=C(C=CC=C2)C3=C1C=C(N=N3)C4=CC=CC=C4

InChI

InChIKey=ORLUBUYLVCUFDE-UHFFFAOYSA-N

InChI=1S/C17H10N2O/c20-17-13-9-5-4-8-12(13)16-14(17)10-15(18-19-16)11-6-2-1-3-7-11/h1-10H

HIDE SMILES / InChI

Molecular Formula	C17H10N2O
Molecular Weight	258.2741
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 09:34:42 GMT 2023` Edited by `admin` on `Sat Dec 16 09:34:42 GMT 2023`
Record UNII	RN69YUV5AV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-PHENYL-5H-INDENO(1,2-C)PYRIDAZIN-5-ONE

Systematic Name

English

5H-INDENO(1,2-C)PYRIDAZIN-5-ONE, 3-PHENYL-

Systematic Name

English

KLB-7

Code

English

NSC-663883

Code

English

Code System Code Type Description

CAS

77152-22-8

Created by admin on Sat Dec 16 09:34:42 GMT 2023 , Edited by admin on Sat Dec 16 09:34:42 GMT 2023

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FDA UNII

RN69YUV5AV

Created by admin on Sat Dec 16 09:34:42 GMT 2023 , Edited by admin on Sat Dec 16 09:34:42 GMT 2023

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NSC

663883

Created by admin on Sat Dec 16 09:34:42 GMT 2023 , Edited by admin on Sat Dec 16 09:34:42 GMT 2023

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EPA CompTox

DTXSID40327521

Created by admin on Sat Dec 16 09:34:42 GMT 2023 , Edited by admin on Sat Dec 16 09:34:42 GMT 2023

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PUBCHEM

379337

Created by admin on Sat Dec 16 09:34:42 GMT 2023 , Edited by admin on Sat Dec 16 09:34:42 GMT 2023

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Related Record Type Details


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KLB-1

PARENT -> DERIVATIVE

Comments:

Analogue of compound KLB-1 and it?s ability to inhibit growth of PhIP-resistant clones. Molecular weight = 258.28; IC50 PhIP = 6.5 umol/L ; Fold difference = 1.2. Screening used a derivative of the human colorectal cancer cell line, HCT116, that harbors an additional copy of chromosome 3 to correct for mutL homologue 1 deficiency and microsatellite instability.

Amount: