General Information of the Compound
| Compound ID |
CP0547721
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853203, 87
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21N5O2
|
||||||||||||||||||
| Molecular Weight |
399.454
|
||||||||||||||||||
| Canonical SMILES |
Cc1coc(n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21N5O2/c1-14-12-30-23(26-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-10-22(28)29)27-11-19(25-13-27)15-5-6-15/h2-4,9,11-13,15H,5-8,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
IURMBUSIFNQOEX-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