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Details

Stereochemistry ACHIRAL
Molecular Formula C20H11F6N3O
Molecular Weight 423.3113
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHTPP

SMILES

OC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2C4=CC=CC=C4)C(F)(F)F)C(F)(F)F

InChI

InChIKey=AEZPAUSGTAHLOQ-UHFFFAOYSA-N
InChI=1S/C20H11F6N3O/c21-19(22,23)14-10-15(20(24,25)26)29-18(27-14)16(11-6-8-13(30)9-7-11)17(28-29)12-4-2-1-3-5-12/h1-10,30H

HIDE SMILES / InChI

Molecular Formula C20H11F6N3O
Molecular Weight 423.3113
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
Target ID: Q92731|||O75584
Gene ID: 2100.0
Gene Symbol: ESR2
Target Organism: Homo sapiens (Human)
0.05 nM [Kd]
Substance Class Chemical
Created
by admin
on Sat Dec 16 19:07:11 UTC 2023
Edited
by admin
on Sat Dec 16 19:07:11 UTC 2023
Record UNII
NN82CVN36N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHTPP
Common Name English
4-(2-PHENYL-5,7-BIS(TRIFLUOROMETHYL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)PHENOL
Systematic Name English
PHENOL, 4-(2-PHENYL-5,7-BIS(TRIFLUOROMETHYL)PYRAZOLO(1,5-A)PYRIMIDIN-3-YL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
11201035
Created by admin on Sat Dec 16 19:07:11 UTC 2023 , Edited by admin on Sat Dec 16 19:07:11 UTC 2023
PRIMARY
FDA UNII
NN82CVN36N
Created by admin on Sat Dec 16 19:07:11 UTC 2023 , Edited by admin on Sat Dec 16 19:07:11 UTC 2023
PRIMARY
CAS
805239-56-9
Created by admin on Sat Dec 16 19:07:11 UTC 2023 , Edited by admin on Sat Dec 16 19:07:11 UTC 2023
PRIMARY
EPA CompTox
DTXSID10458573
Created by admin on Sat Dec 16 19:07:11 UTC 2023 , Edited by admin on Sat Dec 16 19:07:11 UTC 2023
PRIMARY
WIKIPEDIA
PHTPP
Created by admin on Sat Dec 16 19:07:11 UTC 2023 , Edited by admin on Sat Dec 16 19:07:11 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
ANTAGONIST
TARGET -> INHIBITOR
ANTAGONIST