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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H18FN5O2S
Molecular Weight 387.431
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ATUVECICLIB

SMILES

COC1=CC(F)=CC=C1C2=NC=NC(NC3=CC=CC(C[S@](C)(=N)=O)=C3)=N2

InChI

InChIKey=ACWKGTGIJRCOOM-HHHXNRCGSA-N
InChI=1S/C18H18FN5O2S/c1-26-16-9-13(19)6-7-15(16)17-21-11-22-18(24-17)23-14-5-3-4-12(8-14)10-27(2,20)25/h3-9,11,20H,10H2,1-2H3,(H,21,22,23,24)/t27-/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H18FN5O2S
Molecular Weight 387.431
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 08:29:20 UTC 2023
Edited
by admin
on Sat Dec 16 08:29:20 UTC 2023
Record UNII
63Q7F59W0V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ATUVECICLIB
INN  
INN  
Official Name English
atuveciclib [INN]
Common Name English
Atuveciclib [WHO-DD]
Common Name English
1,3,5-TRIAZIN-2-AMINE, 4-(4-FLUORO-2-METHOXYPHENYL)-N-(3-((S-METHYLSULFONIMIDOYL)METHYL)PHENYL)-, (+)-
Systematic Name English
Code System Code Type Description
FDA UNII
63Q7F59W0V
Created by admin on Sat Dec 16 08:29:20 UTC 2023 , Edited by admin on Sat Dec 16 08:29:20 UTC 2023
PRIMARY
CAS
1414943-94-4
Created by admin on Sat Dec 16 08:29:20 UTC 2023 , Edited by admin on Sat Dec 16 08:29:20 UTC 2023
PRIMARY
INN
10373
Created by admin on Sat Dec 16 08:29:20 UTC 2023 , Edited by admin on Sat Dec 16 08:29:20 UTC 2023
PRIMARY
PUBCHEM
121488167
Created by admin on Sat Dec 16 08:29:20 UTC 2023 , Edited by admin on Sat Dec 16 08:29:20 UTC 2023
PRIMARY
NCI_THESAURUS
C121456
Created by admin on Sat Dec 16 08:29:20 UTC 2023 , Edited by admin on Sat Dec 16 08:29:20 UTC 2023
PRIMARY
SMS_ID
100000174620
Created by admin on Sat Dec 16 08:29:20 UTC 2023 , Edited by admin on Sat Dec 16 08:29:20 UTC 2023
PRIMARY
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TARGET->WEAK INHIBITOR
IC50
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ACTIVE MOIETY