General Information of the Compound
| Compound ID |
CP0412795
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-[(3-cyclopropylpyridin-2-yl)methyl]-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]butane-1,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H32N4
|
||||||||||||||||||
| Molecular Weight |
364.537
|
||||||||||||||||||
| Canonical SMILES |
NCCCCN(C[C@H]1Cc2ccccc2CN1)Cc1ncccc1C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H32N4/c24-11-3-4-13-27(17-23-22(18-9-10-18)8-5-12-25-23)16-21-14-19-6-1-2-7-20(19)15-26-21/h1-2,5-8,12,18,21,26H,3-4,9-11,13-17,24H2/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PQAXJFYBVOVQKU-OAQYLSRUSA-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