General Information of the Compound
| Compound ID |
CP0574116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 2.008
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32ClN3O2
|
||||||||||||||||||
| Molecular Weight |
466.025
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CC3CCC2C3)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32ClN3O2/c28-23-8-6-20(7-9-23)26(32)29-24-3-1-2-19(15-24)17-31-12-10-21(11-13-31)27(33)30-25-16-18-4-5-22(25)14-18/h1-3,6-9,15,18,21-22,25H,4-5,10-14,16-17H2,(H,29,32)(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MROHGDSOQUOKTG-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