RO-244736

Details

Stereochemistry	ACHIRAL
Molecular Formula	C31H20ClN5OS
Molecular Weight	546.041
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=NN=C2CN=C(C3=C(SC(=C3)C#CCN4C(=O)C5=C(C=CC=C5)C6=C4C=CC=C6)N12)C7=CC=CC=C7Cl

InChI

InChIKey=MPMZSZMDCRPSRF-UHFFFAOYSA-N

InChI=1S/C31H20ClN5OS/c1-19-34-35-28-18-33-29(24-13-4-6-14-26(24)32)25-17-20(39-31(25)37(19)28)9-8-16-36-27-15-7-5-11-22(27)21-10-2-3-12-23(21)30(36)38/h2-7,10-15,17H,16,18H2,1H3

HIDE SMILES / InChI

Molecular Formula	C31H20ClN5OS
Molecular Weight	546.041
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 `Mon Mar 31 18:11:33 GMT 2025` Edited by `admin` on `Mon Mar 31 18:11:33 GMT 2025`
Record UNII	I2MJ13SOFO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RO-244736

Code

English

RO-24-4736

Preferred Name

English

6(5H)-PHENANTHRIDINONE, 5-(3-(4-(2-CHLOROPHENYL)-9-METHYL-6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)DIAZEPIN-2-YL)-2-PROPYN-1-YL)-

Systematic Name

English

5-(3-(4-(2-CHLOROPHENYL)-9-METHYL-6H-THIENO(3,2-F)(1,2,4)TRIAZOLO(4,3-A)(1,4)-DIAZEPIN-2-YL)-2-PROPYNYL)PHENANTHRIDIN-6(5H)-ONE

Systematic Name

English

Code System Code Type Description

CAS

125030-71-9

Created by admin on Mon Mar 31 18:11:33 GMT 2025 , Edited by admin on Mon Mar 31 18:11:33 GMT 2025

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EPA CompTox

DTXSID80154550

Created by admin on Mon Mar 31 18:11:33 GMT 2025 , Edited by admin on Mon Mar 31 18:11:33 GMT 2025

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FDA UNII

I2MJ13SOFO

Created by admin on Mon Mar 31 18:11:33 GMT 2025 , Edited by admin on Mon Mar 31 18:11:33 GMT 2025

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PUBCHEM

60775

Created by admin on Mon Mar 31 18:11:33 GMT 2025 , Edited by admin on Mon Mar 31 18:11:33 GMT 2025

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