General Information of the Compound
| Compound ID |
CP0512897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8962612, 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14ClF3N4O
|
||||||||||||||||||
| Molecular Weight |
382.773
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=NC(=O)N1CCc2c(Cl)ccc(c2C1)-c1c(F)cc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14ClF3N4O/c18-12-2-1-10(15-13(20)5-8(19)6-14(15)21)11-7-25(4-3-9(11)12)17(26)24-16(22)23/h1-2,5-6H,3-4,7H2,(H4,22,23,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
TZUZGBXEYMIXLQ-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