General Information of the Compound
| Compound ID |
CP0471181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 119
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19ClN6O2
|
||||||||||||||||||
| Molecular Weight |
434.887
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2oc(nc2c1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1ccccc1-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19ClN6O2/c23-15-5-6-20-17(11-15)26-22(31-20)28-12-14-7-10-27(13-19(14)28)21(30)16-3-1-2-4-18(16)29-24-8-9-25-29/h1-6,8-9,11,14,19H,7,10,12-13H2/t14-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASFFYKJYANXDAE-LIRRHRJNSA-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