General Information of the Compound
| Compound ID |
CP0117859
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(piperidin-4-ylmethyl)-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]butane-1,4-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H43N5
|
||||||||||||||||||
| Molecular Weight |
461.698
|
||||||||||||||||||
| Canonical SMILES |
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H43N5/c1-2-8-26-21-33-27(19-25(26)7-1)22-34(28-11-5-9-24-10-6-15-32-29(24)28)18-4-3-14-31-20-23-12-16-30-17-13-23/h1-2,6-8,10,15,23,27-28,30-31,33H,3-5,9,11-14,16-22H2/t27-,28+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ATUPUATUNBUOBZ-IZLXSDGUSA-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