General Information of the Compound
| Compound ID |
CP0486749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.222
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31ClN4O2
|
||||||||||||||||||
| Molecular Weight |
491.035
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(NC(=O)c2cnc3ccccc3c2)cc1CN1CCC(CC1)C(=O)NC1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31ClN4O2/c29-25-10-9-24(32-28(35)21-15-20-5-1-4-8-26(20)30-17-21)16-22(25)18-33-13-11-19(12-14-33)27(34)31-23-6-2-3-7-23/h1,4-5,8-10,15-17,19,23H,2-3,6-7,11-14,18H2,(H,31,34)(H,32,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZVSLYVAGLMXPP-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