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Details

Stereochemistry ACHIRAL
Molecular Formula C27H29N5O
Molecular Weight 439.5521
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DENIFANSTAT

SMILES

CC1=NC(=NN1)C2=C(C=C(C)C(=C2)C(=O)N3CCC(CC3)C4=CC=C(C=C4)C#N)C5CCC5

InChI

InChIKey=BBGOSBDSLYHMRA-UHFFFAOYSA-N
InChI=1S/C27H29N5O/c1-17-14-24(22-4-3-5-22)25(26-29-18(2)30-31-26)15-23(17)27(33)32-12-10-21(11-13-32)20-8-6-19(16-28)7-9-20/h6-9,14-15,21-22H,3-5,10-13H2,1-2H3,(H,29,30,31)

HIDE SMILES / InChI

Molecular Formula C27H29N5O
Molecular Weight 439.5521
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 Sat Dec 16 11:09:49 GMT 2023
Edited
by admin
on Sat Dec 16 11:09:49 GMT 2023
Record UNII
4GF95B2LZA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DENIFANSTAT
USAN   INN  
Official Name English
denifanstat [INN]
Common Name English
Benzonitrile, 4-[1-[4-cyclobutyl-2-methyl-5-(3-methyl-1H-1,2,4-triazol-5-yl)benzoyl]-4-piperidinyl]-
Systematic Name English
ASC-40
Code English
TVB 2640 [WHO-DD]
Common Name English
TVB-2640
Code English
DENIFANSTAT [USAN]
Common Name English
4-{1-[4-cyclobutyl-2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)benzoyl]piperidin-4-yl}benzonitrile
Systematic Name English
Code System Code Type Description
SMS_ID
300000033108
Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023
PRIMARY
FDA UNII
4GF95B2LZA
Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023
PRIMARY
INN
11784
Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023
PRIMARY
USAN
KL-94
Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023
PRIMARY
PUBCHEM
66548316
Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023
PRIMARY
NCI_THESAURUS
C118285
Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023
PRIMARY
CAS
1399177-37-7
Created by admin on Sat Dec 16 11:09:49 GMT 2023 , Edited by admin on Sat Dec 16 11:09:49 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY