General Information of the Compound
| Compound ID |
CP0290864
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2086744
Show/Hide
|
||||||||||||||||||
| Formula |
C27H24N4O2
|
||||||||||||||||||
| Molecular Weight |
436.515
|
||||||||||||||||||
| Canonical SMILES |
CCCCNC(=O)c1ccc2NC(=O)C(=C(c3nc4ccccc4[nH]3)c3ccccc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N4O2/c1-2-3-15-28-26(32)18-13-14-20-19(16-18)24(27(33)31-20)23(17-9-5-4-6-10-17)25-29-21-11-7-8-12-22(21)30-25/h4-14,16H,2-3,15H2,1H3,(H,28,32)(H,29,30)(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZPCRXOMUZGUNA-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 | |||||||||||||||||||
| 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