General Information of the Compound
| Compound ID |
CP0437221
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-[2-(4-tert-butylphenyl)ethyl]-N-methylpiperidin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H32N6
|
||||||||||||||||||
| Molecular Weight |
356.518
|
||||||||||||||||||
| Canonical SMILES |
CN(CCc1ccc(cc1)C(C)(C)C)C1CCN(CC1)c1nc(N)n[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H32N6/c1-20(2,3)16-7-5-15(6-8-16)9-12-25(4)17-10-13-26(14-11-17)19-22-18(21)23-24-19/h5-8,17H,9-14H2,1-4H3,(H3,21,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IVVWECVNHGBUAT-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
Protein ID: PT04304, Acidic mammalian chitinase
Protein ID: PT01834, Acidic mammalian chitinase
Protein ID: PT04882, Chitotriosidase-1
Protein ID: PT04299, Chitotriosidase-1