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Details

Stereochemistry ACHIRAL
Molecular Formula C30H25Cl2F3N4OS
Molecular Weight 617.512
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TM-38837

SMILES

CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(Cl)C=C(Cl)C=C3)C4=CC=C(S4)C#CC5=CC=C(C=C5)C(F)(F)F

InChI

InChIKey=VQOCBFYUDSBDCZ-UHFFFAOYSA-N
InChI=1S/C30H25Cl2F3N4OS/c1-2-23-27(29(40)37-38-16-4-3-5-17-38)36-39(25-14-11-21(31)18-24(25)32)28(23)26-15-13-22(41-26)12-8-19-6-9-20(10-7-19)30(33,34)35/h6-7,9-11,13-15,18H,2-5,16-17H2,1H3,(H,37,40)

HIDE SMILES / InChI

Molecular Formula C30H25Cl2F3N4OS
Molecular Weight 617.512
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 09:53:36 GMT 2025
Edited
by admin
on Wed Apr 02 09:53:36 GMT 2025
Record UNII
YD7836VJ3G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TM-38837
Common Name English
1-(2,4-DICHLOROPHENYL)-4-ETHYL-N-1-PIPERIDINYL-5-(5-(2-(4-(TRIFLUOROMETHYL)PHENYL)ETHYNYL)-2-THIENYL)-1H-PYRAZOLE-3-CARBOXAMIDE
Preferred Name English
1H-PYRAZOLE-3-CARBOXAMIDE, 1-(2,4-DICHLOROPHENYL)-4-ETHYL-N-1-PIPERIDINYL-5-(5-(2-(4-(TRIFLUOROMETHYL)PHENYL)ETHYNYL)-2-THIENYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
49779607
Created by admin on Wed Apr 02 09:53:36 GMT 2025 , Edited by admin on Wed Apr 02 09:53:36 GMT 2025
PRIMARY
CAS
1253641-65-4
Created by admin on Wed Apr 02 09:53:36 GMT 2025 , Edited by admin on Wed Apr 02 09:53:36 GMT 2025
PRIMARY
EPA CompTox
DTXSID301018782
Created by admin on Wed Apr 02 09:53:36 GMT 2025 , Edited by admin on Wed Apr 02 09:53:36 GMT 2025
PRIMARY
FDA UNII
YD7836VJ3G
Created by admin on Wed Apr 02 09:53:36 GMT 2025 , Edited by admin on Wed Apr 02 09:53:36 GMT 2025
PRIMARY
SMS_ID
300000042558
Created by admin on Wed Apr 02 09:53:36 GMT 2025 , Edited by admin on Wed Apr 02 09:53:36 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
INVERSE AGONIST/ANTAGONIST