General Information of the Compound
| Compound ID |
CP0504100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163015, 96
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H11ClN6O
|
||||||||||||||||||
| Molecular Weight |
338.758
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(Nc2n[nH]c3cccnc23)cnc1Oc1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H11ClN6O/c17-11-8-10(9-20-16(11)24-13-5-1-2-6-18-13)21-15-14-12(22-23-15)4-3-7-19-14/h1-9H,(H2,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMEOSLOGBBVUHF-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