General Information of the Compound
| Compound ID |
CP0483008
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163015, 52
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H12ClN5O
|
||||||||||||||||||
| Molecular Weight |
337.77
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H12ClN5O/c18-12-10-11(6-7-14(12)24-15-5-1-2-8-19-15)21-17-16-13(22-23-17)4-3-9-20-16/h1-10H,(H2,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKLFCQRBEGYLSF-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