General Information of the Compound
| Compound ID |
CP0553802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993565, 143
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H21N5O4
|
||||||||||||||||||
| Molecular Weight |
371.397
|
||||||||||||||||||
| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1cccc2NCCOc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H21N5O4/c24-16(20-13-3-1-2-12-18(13)27-7-4-19-12)10-14-21-15(11-17(25)22-14)23-5-8-26-9-6-23/h1-3,11,19H,4-10H2,(H,20,24)(H,21,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNVXODZLOZEOPT-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