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Details

Stereochemistry ACHIRAL
Molecular Formula C29H32F3N7O2
Molecular Weight 567.6064
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BEFOTERTINIB

SMILES

C=CC(=Nc1cc(c(cc1N(C)CCN(C)C)OC)Nc2nccc(-c3cn(CC(F)(F)F)c4ccccc34)n2)O

InChI

InChIKey=USOCZVZOXKTJTI-UHFFFAOYSA-N
InChI=1S/C29H32F3N7O2/c1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36)

HIDE SMILES / InChI

Molecular Formula C29H32F3N7O2
Molecular Weight 567.6064
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 Jun 26 02:11:38 UTC 2021
Edited
by admin
on Sat Jun 26 02:11:38 UTC 2021
Record UNII
0XT2CPR891
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BEFOTERTINIB
INN  
Official Name English
2-PROPENAMIDE, N-(2-((2-(DIMETHYLAMINO)ETHYL)METHYLAMINO)-4-METHOXY-5-((4-(1-(2,2,2-TRIFLUOROETHYL)-1H-INDOL-3-YL)-2-PYRIMIDINYL)AMINO)PHENYL)-
Common Name English
N-(2-((2-(DIMETHYLAMINO)ETHYL)(METHYL)AMINO)-4-METHOXY-5-((4-(1-(2,2,2-TRIFLUOROETHYL)-1H-INDOL-3-YL)PYRIMIDIN-2-YL)AMINO)PHENYL)PROP-2-ENAMIDE
Systematic Name English
BEFOTERTINIB [INN]
Common Name English
Code System Code Type Description
PUBCHEM
130412842
Created by admin on Sat Jun 26 02:11:38 UTC 2021 , Edited by admin on Sat Jun 26 02:11:38 UTC 2021
PRIMARY
NCI_THESAURUS
C175747
Created by admin on Sat Jun 26 02:11:38 UTC 2021 , Edited by admin on Sat Jun 26 02:11:38 UTC 2021
PRIMARY
INN
11357
Created by admin on Sat Jun 26 02:11:38 UTC 2021 , Edited by admin on Sat Jun 26 02:11:38 UTC 2021
PRIMARY
FDA UNII
0XT2CPR891
Created by admin on Sat Jun 26 02:11:38 UTC 2021 , Edited by admin on Sat Jun 26 02:11:38 UTC 2021
PRIMARY
CAS
1835667-63-4
Created by admin on Sat Jun 26 02:11:38 UTC 2021 , Edited by admin on Sat Jun 26 02:11:38 UTC 2021
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY