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Details

Stereochemistry ACHIRAL
Molecular Formula C31H31ClF3N9O5
Molecular Weight 702.083
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HRO-761

SMILES

CCC1=C(N2CCN(CC2)C(=O)C3=C(O)C(C)=NC=N3)C(=O)N4N=C(N=C4N1CC(=O)NC5=C(Cl)C=C(C=C5)C(F)(F)F)C6=CCOCC6

InChI

InChIKey=XKYVECRUZPCRQR-UHFFFAOYSA-N
InChI=1S/C31H31ClF3N9O5/c1-3-22-25(41-8-10-42(11-9-41)28(47)24-26(46)17(2)36-16-37-24)29(48)44-30(39-27(40-44)18-6-12-49-13-7-18)43(22)15-23(45)38-21-5-4-19(14-20(21)32)31(33,34)35/h4-6,14,16,46H,3,7-13,15H2,1-2H3,(H,38,45)

HIDE SMILES / InChI

Molecular Formula C31H31ClF3N9O5
Molecular Weight 702.083
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 14:32:30 GMT 2025
Edited
by admin
on Wed Apr 02 14:32:30 GMT 2025
Record UNII
SCH4CP6PRC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HRO761
Preferred Name English
HRO-761
Code English
[1,2,4]Triazolo[1,5-a]pyrimidine-4(7H)-acetamide, N-[2-chloro-4-(trifluoromethyl)phenyl]-2-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-6-[4-[(5-hydroxy-6-methyl-4-pyrimidinyl)carbonyl]-1-piperazinyl]-7-oxo-
Systematic Name English
Code System Code Type Description
FDA UNII
SCH4CP6PRC
Created by admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
PRIMARY
SMS_ID
300000047132
Created by admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
PRIMARY
PUBCHEM
166140536
Created by admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
PRIMARY
NCI_THESAURUS
C210827
Created by admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
PRIMARY
CAS
2869954-34-5
Created by admin on Wed Apr 02 14:32:30 GMT 2025 , Edited by admin on Wed Apr 02 14:32:30 GMT 2025
PRIMARY
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Name Property Type Amount Referenced Substance Defining Parameters References
log P CHEMICAL
PERMEABILITY PHARMACOKINETIC CELLS
BIOLOGICAL
log D CHEMICAL pH
CHEMICAL