General Information of the Compound
| Compound ID |
CP0358749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N',N'-bis(pyridin-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 |
C35H42N6
|
||||||||||||||||||
| Molecular Weight |
546.763
|
||||||||||||||||||
| Canonical SMILES |
C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CN(Cc1ccncc1)Cc1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H42N6/c1-2-8-32-24-39-33(23-31(32)7-1)27-41(34-11-5-9-30-10-6-16-38-35(30)34)22-4-3-21-40(25-28-12-17-36-18-13-28)26-29-14-19-37-20-15-29/h1-2,6-8,10,12-20,33-34,39H,3-5,9,11,21-27H2/t33-,34+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZEEABZKRGAFENX-NOCHOARKSA-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