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

Details

Stereochemistry ABSOLUTE
Molecular Formula C25H21F3N6O3S
Molecular Weight 542.533
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Plixorafenib

SMILES

F[C@@H]1CCN(C1)S(=O)(=O)NC2=CC=C(F)C(C(=O)C3=CNC4=NC=C(C=C34)C5=CN=C(N=C5)C6CC6)=C2F

InChI

InChIKey=YYACLQUDUDXAPA-MRXNPFEDSA-N
InChI=1S/C25H21F3N6O3S/c26-16-5-6-34(12-16)38(36,37)33-20-4-3-19(27)21(22(20)28)23(35)18-11-32-25-17(18)7-14(8-31-25)15-9-29-24(30-10-15)13-1-2-13/h3-4,7-11,13,16,33H,1-2,5-6,12H2,(H,31,32)/t16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C25H21F3N6O3S
Molecular Weight 542.533
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:12:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:12:41 GMT 2023
Record UNII
J2L7Z273SG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Plixorafenib
INN  
Official Name English
plixorafenib [INN]
Common Name English
PLX8394
Code English
FORE-8394
Code English
1-PYRROLIDINESULFONAMIDE, N-(3-((5-(2-CYCLOPROPYL-5-PYRIMIDINYL)-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)CARBONYL)-2,4-DIFLUOROPHENYL)-3-FLUORO-, (3R)-
Systematic Name English
FORE8394
Code English
PLX-8394
Code English
PLX 8394 [WHO-DD]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C113330
Created by admin on Sat Dec 16 09:12:41 GMT 2023 , Edited by admin on Sat Dec 16 09:12:41 GMT 2023
PRIMARY
PUBCHEM
90116675
Created by admin on Sat Dec 16 09:12:41 GMT 2023 , Edited by admin on Sat Dec 16 09:12:41 GMT 2023
PRIMARY
ChEMBL
CHEMBL3545005
Created by admin on Sat Dec 16 09:12:41 GMT 2023 , Edited by admin on Sat Dec 16 09:12:41 GMT 2023
PRIMARY
INN
12480
Created by admin on Sat Dec 16 09:12:41 GMT 2023 , Edited by admin on Sat Dec 16 09:12:41 GMT 2023
PRIMARY
FDA UNII
J2L7Z273SG
Created by admin on Sat Dec 16 09:12:41 GMT 2023 , Edited by admin on Sat Dec 16 09:12:41 GMT 2023
PRIMARY
CAS
1393466-87-9
Created by admin on Sat Dec 16 09:12:41 GMT 2023 , Edited by admin on Sat Dec 16 09:12:41 GMT 2023
PRIMARY
SMS_ID
300000045527
Created by admin on Sat Dec 16 09:12:41 GMT 2023 , Edited by admin on Sat Dec 16 09:12:41 GMT 2023
PRIMARY
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