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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19FN4O2S
Molecular Weight 386.445
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHI-101

SMILES

c1cc(C#Cc2cc(c(C(=N[C@@]3([H])CCCNC3)O)s2)NC(=N)O)cc(c1)F

InChI

InChIKey=ULVAGWVTXBTFRN-AWEZNQCLSA-N
InChI=1S/C19H19FN4O2S/c20-13-4-1-3-12(9-13)6-7-15-10-16(24-19(21)26)17(27-15)18(25)23-14-5-2-8-22-11-14/h1,3-4,9-10,14,22H,2,5,8,11H2,(H,23,25)(H3,21,24,26)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C19H19FN4O2S
Molecular Weight 386.445
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 Fri Jun 25 20:47:42 UTC 2021
Edited
by admin
on Fri Jun 25 20:47:42 UTC 2021
Record UNII
U2UY9TBQ8Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHI-101
Code English
2-THIOPHENECARBOXAMIDE, 3-((AMINOCARBONYL)AMINO)-5-(2-(3-FLUOROPHENYL)ETHYNYL)-N-(3S)-3-PIPERIDINYL-
Systematic Name English
N-(2-(N-((3S)(3-PIPERIDYL))CARBAMOYL)-5-(2-(3-FLUOROPHENYL)ETHYNYL)(3-THIENYL))AMINAMIDE
Systematic Name English
PHI101
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 681819
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
Code System Code Type Description
CAS
2127107-15-5
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
PRIMARY
PUBCHEM
130358571
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
PRIMARY
FDA UNII
U2UY9TBQ8Z
Created by admin on Fri Jun 25 20:47:42 UTC 2021 , Edited by admin on Fri Jun 25 20:47:42 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY