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Details

Stereochemistry ACHIRAL
Molecular Formula C32H45N9O3S
Molecular Weight 635.823
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CONTELTINIB

SMILES

COC1=C(NC2=NC(NC3=C(C=CC=C3)S(=O)(=O)NC(C)C)=C4CCNC4=N2)C=CC(=C1)N5CCC(CC5)N6CCN(C)CC6

InChI

InChIKey=NPJCURIANJMFEO-UHFFFAOYSA-N
InChI=1S/C32H45N9O3S/c1-22(2)38-45(42,43)29-8-6-5-7-27(29)34-31-25-11-14-33-30(25)36-32(37-31)35-26-10-9-24(21-28(26)44-4)40-15-12-23(13-16-40)41-19-17-39(3)18-20-41/h5-10,21-23,38H,11-20H2,1-4H3,(H3,33,34,35,36,37)

HIDE SMILES / InChI

Molecular Formula C32H45N9O3S
Molecular Weight 635.823
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 14:15:49 GMT 2023
Edited
by admin
on Sat Dec 16 14:15:49 GMT 2023
Record UNII
URX2UMQ8XV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CONTELTINIB
INN  
Official Name English
Conteltinib [WHO-DD]
Common Name English
BENZENESULFONAMIDE, 2-((6,7-DIHYDRO-2-((2-METHOXY-4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)AMINO)-5H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)AMINO)-N-(1-METHYLETHYL)-
Systematic Name English
conteltinib [INN]
Common Name English
Code System Code Type Description
PUBCHEM
89860551
Created by admin on Sat Dec 16 14:15:49 GMT 2023 , Edited by admin on Sat Dec 16 14:15:49 GMT 2023
PRIMARY
FDA UNII
URX2UMQ8XV
Created by admin on Sat Dec 16 14:15:49 GMT 2023 , Edited by admin on Sat Dec 16 14:15:49 GMT 2023
PRIMARY
NCI_THESAURUS
C169863
Created by admin on Sat Dec 16 14:15:49 GMT 2023 , Edited by admin on Sat Dec 16 14:15:49 GMT 2023
PRIMARY
INN
10696
Created by admin on Sat Dec 16 14:15:49 GMT 2023 , Edited by admin on Sat Dec 16 14:15:49 GMT 2023
PRIMARY
SMS_ID
100000181103
Created by admin on Sat Dec 16 14:15:49 GMT 2023 , Edited by admin on Sat Dec 16 14:15:49 GMT 2023
PRIMARY
CAS
1384860-29-0
Created by admin on Sat Dec 16 14:15:49 GMT 2023 , Edited by admin on Sat Dec 16 14:15:49 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY