U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C22H24N6O
Molecular Weight 388.4656
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CC-401

SMILES

C(CN1CCCCC1)OC2=CC(=CC=C2)C3=NNC4=C3C=C(C=C4)C5=NNC=N5

InChI

InChIKey=XDJCLCLBSGGNKS-UHFFFAOYSA-N
InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)

HIDE SMILES / InChI

Approval Year

Name Type Language
CC-401
Common Name English
1-(5-(1H-1,2,4-TRIAZOL-5-YL)-1H-INDAZOL-3-YL)-3-(2-PIPERIDINOETHOXY)-BENZENE
Systematic Name English
1H-INDAZOLE, 3-(3-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)-5-(1H-1,2,4-TRIAZOL-3-YL)-
Systematic Name English
1H-INDAZOLE, 3-(3-(2-(1-PIPERIDINYL)ETHOXY)PHENYL)-5-(1H-1,2,4-TRIAZOL-5-YL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C2149
Created by admin on Fri Dec 15 15:35:22 UTC 2023 , Edited by admin on Fri Dec 15 15:35:22 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID40192650
Created by admin on Fri Dec 15 15:35:22 UTC 2023 , Edited by admin on Fri Dec 15 15:35:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL1614713
Created by admin on Fri Dec 15 15:35:22 UTC 2023 , Edited by admin on Fri Dec 15 15:35:22 UTC 2023
PRIMARY
FDA UNII
NOE38VQA1W
Created by admin on Fri Dec 15 15:35:22 UTC 2023 , Edited by admin on Fri Dec 15 15:35:22 UTC 2023
PRIMARY
PUBCHEM
10430360
Created by admin on Fri Dec 15 15:35:22 UTC 2023 , Edited by admin on Fri Dec 15 15:35:22 UTC 2023
PRIMARY
DRUG BANK
DB12432
Created by admin on Fri Dec 15 15:35:22 UTC 2023 , Edited by admin on Fri Dec 15 15:35:22 UTC 2023
PRIMARY
NCI_THESAURUS
C49095
Created by admin on Fri Dec 15 15:35:22 UTC 2023 , Edited by admin on Fri Dec 15 15:35:22 UTC 2023
PRIMARY NCIT
CAS
395104-30-0
Created by admin on Fri Dec 15 15:35:22 UTC 2023 , Edited by admin on Fri Dec 15 15:35:22 UTC 2023
PRIMARY