General Information of the Compound
| Compound ID |
CP0558546
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-N-[[1-[3-[3-(cyclohexylamino)propylamino]propyl]triazol-4-yl]methyl]-4-N-piperidin-4-yl-6-propan-2-ylpyrimidine-2,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H48N10
|
||||||||||||||||||
| Molecular Weight |
512.751
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1cc(NC2CCNCC2)nc(NCc2cn(CCCNCCCNC3CCCCC3)nn2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H48N10/c1-21(2)25-18-26(32-23-10-15-29-16-11-23)34-27(33-25)31-19-24-20-37(36-35-24)17-7-13-28-12-6-14-30-22-8-4-3-5-9-22/h18,20-23,28-30H,3-17,19H2,1-2H3,(H2,31,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVKOTOIZJGYESI-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