General Information of the Compound
| Compound ID |
CP0518829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216968, 211
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21Cl3N4O2
|
||||||||||||||||||
| Molecular Weight |
527.839
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(NC(=O)c2cc(NC(=O)c3cc(Cl)ccc3Cl)cc3[nH]c(nc23)C2(C)CC2)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21Cl3N4O2/c1-13-3-5-15(11-20(13)29)30-24(35)18-10-16(31-23(34)17-9-14(27)4-6-19(17)28)12-21-22(18)33-25(32-21)26(2)7-8-26/h3-6,9-12H,7-8H2,1-2H3,(H,30,35)(H,31,34)(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJEUYUZDQUWXIR-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