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Details

Stereochemistry ACHIRAL
Molecular Formula C23H33N5O2
Molecular Weight 411.5404
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BALICATIB

SMILES

CCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3(CCCCC3)C(=O)NCC#N

InChI

InChIKey=LLCRBOWRJOUJAE-UHFFFAOYSA-N
InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)

HIDE SMILES / InChI

Molecular Formula C23H33N5O2
Molecular Weight 411.5404
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 17:19:53 UTC 2023
Edited
by admin
on Fri Dec 15 17:19:53 UTC 2023
Record UNII
E00MVC7O57
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BALICATIB
INN  
INN  
Official Name English
AAE581
Code English
Balicatib [WHO-DD]
Common Name English
N-(1-((CYANOMETHYL)CARBAMOYL)CYCLOHEXYL)-4-(4-PROPYLPIPERAZIN-1-YL)BENZAMIDE
Systematic Name English
AAE-581
Code English
balicatib [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C67439
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
NCI_THESAURUS C471
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL371064
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
DRUG BANK
DB12239
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
NCI_THESAURUS
C79521
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
MESH
C529767
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID10188989
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
FDA UNII
E00MVC7O57
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
INN
8556
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
CAS
354813-19-7
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
PUBCHEM
10201696
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
SMS_ID
100000175269
Created by admin on Fri Dec 15 17:19:54 UTC 2023 , Edited by admin on Fri Dec 15 17:19:54 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY