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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H15F3N4O2
Molecular Weight 400.3539
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-678

SMILES

CC(=O)C1=C(C)N(C(=O)N[C@@H]1C2=CN=C(C=C2)C#N)C3=CC=CC(=C3)C(F)(F)F

InChI

InChIKey=PGIVGIFOWOVINL-GOSISDBHSA-N
InChI=1S/C20H15F3N4O2/c1-11-17(12(2)28)18(13-6-7-15(9-24)25-10-13)26-19(29)27(11)16-5-3-4-14(8-16)20(21,22)23/h3-8,10,18H,1-2H3,(H,26,29)/t18-/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H15F3N4O2
Molecular Weight 400.3539
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
15.0 nM [Ki]
Substance Class Chemical
Created
by admin
on Sat Dec 16 14:55:53 UTC 2023
Edited
by admin
on Sat Dec 16 14:55:53 UTC 2023
Record UNII
WD9FU5A8DR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-678
Code English
5-((4R)-5-ACETYL-1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-4-PYRIMIDINYL)-2-PYRIDINECARBONITRILE
Common Name English
2-PYRIDINECARBONITRILE, 5-((4R)-5-ACETYL-1,2,3,4-TETRAHYDRO-6-METHYL-2-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-4-PYRIMIDINYL)-
Systematic Name English
BAY678
Code English
Code System Code Type Description
FDA UNII
WD9FU5A8DR
Created by admin on Sat Dec 16 14:55:54 UTC 2023 , Edited by admin on Sat Dec 16 14:55:54 UTC 2023
PRIMARY
PUBCHEM
23728722
Created by admin on Sat Dec 16 14:55:54 UTC 2023 , Edited by admin on Sat Dec 16 14:55:54 UTC 2023
PRIMARY
CAS
675103-36-3
Created by admin on Sat Dec 16 14:55:54 UTC 2023 , Edited by admin on Sat Dec 16 14:55:54 UTC 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER
TARGET -> INHIBITOR
Ki
Related Record Type Details
ACTIVE MOIETY