General Information of the Compound
| Compound ID |
CP0383531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2,2-dimethyl-N-(oxan-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 |
C31H46N4O
|
||||||||||||||||||
| Molecular Weight |
490.736
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCC1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H46N4O/c1-31(2,23-32-20-24-12-17-36-18-13-24)14-16-35(29-11-5-9-25-10-6-15-33-30(25)29)22-28-19-26-7-3-4-8-27(26)21-34-28/h3-4,6-8,10,15,24,28-29,32,34H,5,9,11-14,16-23H2,1-2H3/t28-,29+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJXPGNYZSGLODV-WDYNHAJCSA-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