General Information of the Compound
| Compound ID |
CP0573688
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-ylpyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H42N10
|
||||||||||||||||||
| Molecular Weight |
470.67
|
||||||||||||||||||
| Canonical SMILES |
C(CNCCCn1cc(CNc2nccc(NC3CCNCC3)n2)nn1)CNC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H42N10/c1-2-6-20(7-3-1)27-13-4-11-25-12-5-17-34-19-22(32-33-34)18-29-24-28-16-10-23(31-24)30-21-8-14-26-15-9-21/h10,16,19-21,25-27H,1-9,11-15,17-18H2,(H2,28,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OAHARFBCGQFYBA-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound