General Information of the Compound
| Compound ID |
CP0011714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10307413, Compound 39
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29N3O3
|
||||||||||||||||||
| Molecular Weight |
383.492
|
||||||||||||||||||
| Canonical SMILES |
CNCCOc1cccc(c1)C(=O)NCC(O)CN1CCc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29N3O3/c1-23-10-12-28-21-8-4-7-18(13-21)22(27)24-14-20(26)16-25-11-9-17-5-2-3-6-19(17)15-25/h2-8,13,20,23,26H,9-12,14-16H2,1H3,(H,24,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNVWMBWUTDPHDJ-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