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Details

Stereochemistry ACHIRAL
Molecular Formula C29H35N7O4.2ClH
Molecular Weight 618.555
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RGB-286638

SMILES

Cl.Cl.COCCN1CCN(CC2=CC=C(C=C2)C3=NNC4=C3C(=O)C5=C4C=CC=C5NC(=O)NN6CCOCC6)CC1

InChI

InChIKey=WJVMGQMXUBAAPL-UHFFFAOYSA-N
InChI=1S/C29H35N7O4.2ClH/c1-39-16-13-34-9-11-35(12-10-34)19-20-5-7-21(8-6-20)26-25-27(32-31-26)22-3-2-4-23(24(22)28(25)37)30-29(38)33-36-14-17-40-18-15-36;;/h2-8H,9-19H2,1H3,(H,31,32)(H2,30,33,38);2*1H

HIDE SMILES / InChI

Molecular Formula C29H35N7O4
Molecular Weight 545.6327
Charge 0
Count
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
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 Fri Dec 15 19:05:28 UTC 2023
Edited
by admin
on Fri Dec 15 19:05:28 UTC 2023
Record UNII
478ZV54680
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RGB-286638
Common Name English
UREA, N-(1,4-DIHYDRO-3-(4-((4-(2-METHOXYETHYL)-1-PIPERAZINYL)METHYL)PHENYL)-4-OXOINDENO(1,2-C)PYRAZOL-5-YL)-N'-4-MORPHOLINYL-, HYDROCHLORIDE (1:2)
Systematic Name English
UREA, N-(1,4-DIHYDRO-3-(4-((4-(2-METHOXYETHYL)-1-PIPERAZINYL)METHYL)PHENYL)-4-OXOINDENO(1,2-C)PYRAZOL-5-YL)-N'-4-MORPHOLINYL-, DIHYDROCHLORIDE
Common Name English
RGB 286638
Code English
Code System Code Type Description
ChEMBL
CHEMBL3545083
Created by admin on Fri Dec 15 19:05:28 UTC 2023 , Edited by admin on Fri Dec 15 19:05:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID40229071
Created by admin on Fri Dec 15 19:05:28 UTC 2023 , Edited by admin on Fri Dec 15 19:05:28 UTC 2023
PRIMARY
CAS
784210-87-3
Created by admin on Fri Dec 15 19:05:28 UTC 2023 , Edited by admin on Fri Dec 15 19:05:28 UTC 2023
PRIMARY
PUBCHEM
11285001
Created by admin on Fri Dec 15 19:05:28 UTC 2023 , Edited by admin on Fri Dec 15 19:05:28 UTC 2023
PRIMARY
FDA UNII
478ZV54680
Created by admin on Fri Dec 15 19:05:28 UTC 2023 , Edited by admin on Fri Dec 15 19:05:28 UTC 2023
PRIMARY
SMS_ID
300000042505
Created by admin on Fri Dec 15 19:05:28 UTC 2023 , Edited by admin on Fri Dec 15 19:05:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
TARGET -> INHIBITOR
PARENT -> SALT/SOLVATE