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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H31F5N4O3
Molecular Weight 542.5414
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of APT-101

SMILES

OC(=O)C[C@H](CCN1CCCC(F)(F)C1)NC(=O)C2=NN(C3CCCC3)C(=C2)C4=CC=CC=C4C(F)(F)F

InChI

InChIKey=HSTYVOXQTWCRDM-KRWDZBQOSA-N
InChI=1S/C26H31F5N4O3/c27-25(28)11-5-12-34(16-25)13-10-17(14-23(36)37)32-24(38)21-15-22(35(33-21)18-6-1-2-7-18)19-8-3-4-9-20(19)26(29,30)31/h3-4,8-9,15,17-18H,1-2,5-7,10-14,16H2,(H,32,38)(H,36,37)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H31F5N4O3
Molecular Weight 542.5414
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 Sat Dec 16 19:21:55 GMT 2023
Edited
by admin
on Sat Dec 16 19:21:55 GMT 2023
Record UNII
23Q58CY54R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APT-101
Common Name English
1-Piperidinepentanoic acid, β-[[[1-cyclopentyl-5-[2-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]carbonyl]amino]-3,3-difluoro-, (βS)-
Common Name English
(S)-3-(1-Cyclopentyl-5-(2-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxamido)-5-(3,3-difluoropiperidin-1-yl)pentanoic acid
Systematic Name English
Code System Code Type Description
FDA UNII
23Q58CY54R
Created by admin on Sat Dec 16 19:21:55 GMT 2023 , Edited by admin on Sat Dec 16 19:21:55 GMT 2023
PRIMARY
PUBCHEM
129226407
Created by admin on Sat Dec 16 19:21:55 GMT 2023 , Edited by admin on Sat Dec 16 19:21:55 GMT 2023
PRIMARY
CAS
2100848-01-7
Created by admin on Sat Dec 16 19:21:55 GMT 2023 , Edited by admin on Sat Dec 16 19:21:55 GMT 2023
PRIMARY
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SALT/SOLVATE -> PARENT
TARGET -> AGONIST
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ACTIVE MOIETY