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Details

Stereochemistry ACHIRAL
Molecular Formula C23H16F3N3O3
Molecular Weight 439.3866
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BFH-772

SMILES

OCC1=CC(OC2=CC3=CC=CC(C(=O)NC4=CC=CC(=C4)C(F)(F)F)=C3C=C2)=NC=N1

InChI

InChIKey=JNLSTLQFDDAULK-UHFFFAOYSA-N
InChI=1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31)

HIDE SMILES / InChI

Molecular Formula C23H16F3N3O3
Molecular Weight 439.3866
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.7 nM [IC50]
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:27:39 UTC 2023
Edited
by admin
on Sat Dec 16 10:27:39 UTC 2023
Record UNII
T1IV236CVP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BFH-772
Code English
BFH-722
Code English
BFH722
Code English
BFH772
Code English
1-NAPHTHALENECARBOXAMIDE, 6-((6-(HYDROXYMETHYL)-4-PYRIMIDINYL)OXY)-N-(3-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
24756034
Created by admin on Sat Dec 16 10:27:39 UTC 2023 , Edited by admin on Sat Dec 16 10:27:39 UTC 2023
PRIMARY
FDA UNII
T1IV236CVP
Created by admin on Sat Dec 16 10:27:39 UTC 2023 , Edited by admin on Sat Dec 16 10:27:39 UTC 2023
PRIMARY
CAS
890128-81-1
Created by admin on Sat Dec 16 10:27:39 UTC 2023 , Edited by admin on Sat Dec 16 10:27:39 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY