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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H25ClN6
Molecular Weight 360.884
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Stereo Comments Trans

SHOW SMILES / InChI
Structure of BTX-A51

SMILES

CN1N=CC(=C1CC2CC2)C3=C(Cl)C=NC(N[C@H]4CC[C@H](N)CC4)=N3

InChI

InChIKey=RVZJFCNYSSUDCU-JOCQHMNTSA-N
InChI=1S/C18H25ClN6/c1-25-16(8-11-2-3-11)14(9-22-25)17-15(19)10-21-18(24-17)23-13-6-4-12(20)5-7-13/h9-13H,2-8,20H2,1H3,(H,21,23,24)/t12-,13-

HIDE SMILES / InChI

Molecular Formula C18H25ClN6
Molecular Weight 360.884
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:30:08 GMT 2023
Edited
by admin
on Sat Dec 16 10:30:08 GMT 2023
Record UNII
L46P54NB4V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BTX-A51
Code English
trans-N1-[5-Chloro-4-[5-(cyclopropylmethyl)-1-methyl-1H-pyrazol-4-yl]-2-pyrimidinyl]-1,4-cyclohexanediamine
Systematic Name English
Code System Code Type Description
FDA UNII
L46P54NB4V
Created by admin on Sat Dec 16 10:30:08 GMT 2023 , Edited by admin on Sat Dec 16 10:30:08 GMT 2023
PRIMARY
PUBCHEM
126558497
Created by admin on Sat Dec 16 10:30:08 GMT 2023 , Edited by admin on Sat Dec 16 10:30:08 GMT 2023
PRIMARY
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