General Information of the Compound
| Compound ID |
CP0512940
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428456, 1.013
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34N4O2
|
||||||||||||||||||
| Molecular Weight |
434.584
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1ccccn1)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34N4O2/c31-25(18-23-10-4-5-14-27-23)28-24-11-6-7-20(17-24)19-30-15-12-21(13-16-30)26(32)29-22-8-2-1-3-9-22/h4-7,10-11,14,17,21-22H,1-3,8-9,12-13,15-16,18-19H2,(H,28,31)(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NYTDMOVVPIWJHS-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