U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C23H26N4OS.ClH
Molecular Weight 443.005
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TJ-M2010-5 hydrochloride

SMILES

Cl.O=C(CCN1CCN(CC2=CC=CC=C2)CC1)NC3=NC(=CS3)C4=CC=CC=C4

InChI

InChIKey=KYEHNSFNKBDRCR-UHFFFAOYSA-N
InChI=1S/C23H26N4OS.ClH/c28-22(25-23-24-21(18-29-23)20-9-5-2-6-10-20)11-12-26-13-15-27(16-14-26)17-19-7-3-1-4-8-19;/h1-10,18H,11-17H2,(H,24,25,28);1H

HIDE SMILES / InChI

Molecular Formula C23H26N4OS
Molecular Weight 406.544
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
6W53TU7EBT
Record Status Validated (UNII)
Record Version