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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20F3N3
Molecular Weight 347.3774
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BHF-177

SMILES

CC1=NC=C(C2=CC=C(C=C2)C(F)(F)F)C(N[C@@H]3C[C@H]4CC[C@@H]3C4)=N1

InChI

InChIKey=ADHZHPOKTRHZGT-DXCKQFNASA-N
InChI=1S/C19H20F3N3/c1-11-23-10-16(13-4-6-15(7-5-13)19(20,21)22)18(24-11)25-17-9-12-2-3-14(17)8-12/h4-7,10,12,14,17H,2-3,8-9H2,1H3,(H,23,24,25)/t12-,14+,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H20F3N3
Molecular Weight 347.3774
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:47:50 UTC 2023
Edited
by admin
on Sat Dec 16 09:47:50 UTC 2023
Record UNII
73Q4TVR90S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BHF-177
Common Name English
4-PYRIMIDINAMINE, N-(1R,2R,4S)-BICYCLO(2.2.1)HEPT-2-YL-2-METHYL-5-(4-(TRIFLUOROMETHYL)PHENYL)-
Systematic Name English
Code System Code Type Description
WIKIPEDIA
BHF-177
Created by admin on Sat Dec 16 09:47:50 UTC 2023 , Edited by admin on Sat Dec 16 09:47:50 UTC 2023
PRIMARY
CAS
917896-43-6
Created by admin on Sat Dec 16 09:47:50 UTC 2023 , Edited by admin on Sat Dec 16 09:47:50 UTC 2023
PRIMARY
FDA UNII
73Q4TVR90S
Created by admin on Sat Dec 16 09:47:50 UTC 2023 , Edited by admin on Sat Dec 16 09:47:50 UTC 2023
PRIMARY
EPA CompTox
DTXSID701028428
Created by admin on Sat Dec 16 09:47:50 UTC 2023 , Edited by admin on Sat Dec 16 09:47:50 UTC 2023
PRIMARY
PUBCHEM
56940925
Created by admin on Sat Dec 16 09:47:50 UTC 2023 , Edited by admin on Sat Dec 16 09:47:50 UTC 2023
PRIMARY
Related Record Type Details
TARGET->POSITIVE ALLOSTERIC MODULATOR (PAM)
Related Record Type Details
ACTIVE MOIETY