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Details

Stereochemistry ACHIRAL
Molecular Formula C24H20F3N3O
Molecular Weight 423.4303
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-4491533

SMILES

CC1=CC(=CC(C)=N1)C2=CC(=CC=C2)C3=NC4=C(NC(=O)C3)C=C(C(C)=C4)C(F)(F)F

InChI

InChIKey=LYTVXCQQTLUEQR-UHFFFAOYSA-N
InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31)

HIDE SMILES / InChI

Molecular Formula C24H20F3N3O
Molecular Weight 423.4303
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 17:23:04 UTC 2023
Edited
by admin
on Sat Dec 16 17:23:04 UTC 2023
Record UNII
HF59BT62UG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-4491533
Code English
RO4491533
Code English
4-(3-(2,6-DIMETHYLPYRIDIN-4-YL)PHENYL)-7-METHYL-8-TRIFLUOROMETHYL-1,3-DIHYDROBENZO(B)(1,4)DIAZEPIN-2-ONE
Systematic Name English
2H-1,5-BENZODIAZEPIN-2-ONE, 4-(3-(2,6-DIMETHYL-4-PYRIDINYL)PHENYL)-1,3-DIHYDRO-7-METHYL-8-(TRIFLUOROMETHYL)-
Systematic Name English
4-(3-(2,6-DIMETHYL-4-PYRIDINYL)PHENYL)-1,3-DIHYDRO-7-METHYL-8-(TRIFLUOROMETHYL)-2H-1,5-BENZODIAZEPIN-2-ONE
Systematic Name English
Code System Code Type Description
PUBCHEM
11158623
Created by admin on Sat Dec 16 17:23:04 UTC 2023 , Edited by admin on Sat Dec 16 17:23:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID601030327
Created by admin on Sat Dec 16 17:23:04 UTC 2023 , Edited by admin on Sat Dec 16 17:23:04 UTC 2023
PRIMARY
WIKIPEDIA
RO4491533
Created by admin on Sat Dec 16 17:23:04 UTC 2023 , Edited by admin on Sat Dec 16 17:23:04 UTC 2023
PRIMARY
FDA UNII
HF59BT62UG
Created by admin on Sat Dec 16 17:23:04 UTC 2023 , Edited by admin on Sat Dec 16 17:23:04 UTC 2023
PRIMARY
CAS
579482-31-8
Created by admin on Sat Dec 16 17:23:04 UTC 2023 , Edited by admin on Sat Dec 16 17:23:04 UTC 2023
PRIMARY
Related Record Type Details
TARGET->NEGATIVE ALLOSTERIC MODULATOR
TARGET->NEGATIVE ALLOSTERIC MODULATOR