General Information of the Compound
| Compound ID |
CP0485623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyclopentyl-N-[2-(dimethylamino)ethyl]-N-[[4-[5-[(2-phenylethylamino)methyl]pyridin-2-yl]phenyl]methyl]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H44N4O
|
||||||||||||||||||
| Molecular Weight |
512.742
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCN(Cc1ccc(cc1)-c1ccc(CNCCc2ccccc2)cn1)C(=O)CCC1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H44N4O/c1-36(2)22-23-37(33(38)19-15-27-10-6-7-11-27)26-29-12-16-31(17-13-29)32-18-14-30(25-35-32)24-34-21-20-28-8-4-3-5-9-28/h3-5,8-9,12-14,16-18,25,27,34H,6-7,10-11,15,19-24,26H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
VNZHXAMFPMNAKC-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