General Information of the Compound
| Compound ID |
CP0563353
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 120
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18ClFN6O2
|
||||||||||||||||||
| Molecular Weight |
452.877
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc2cc(Cl)ccc2o1)-n1nccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18ClFN6O2/c23-14-4-5-19-16(10-14)27-22(32-19)29-11-13-6-9-28(12-18(13)29)21(31)20-15(24)2-1-3-17(20)30-25-7-8-26-30/h1-5,7-8,10,13,18H,6,9,11-12H2/t13-,18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MUXDWBWGCFZGSS-UGSOOPFHSA-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