General Information of the Compound
| Compound ID |
CP0551187
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4856336
Show/Hide
|
||||||||||||||||||
| Formula |
C28H27N5O3
|
||||||||||||||||||
| Molecular Weight |
481.556
|
||||||||||||||||||
| Canonical SMILES |
CC#CC(=O)N1CCC(CC1)c1cnn2c(C(N)=O)c([nH]c12)-c1ccc(Oc2ccc(C)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N5O3/c1-3-4-24(34)32-15-13-19(14-16-32)23-17-30-33-26(27(29)35)25(31-28(23)33)20-7-11-22(12-8-20)36-21-9-5-18(2)6-10-21/h5-12,17,19,31H,13-16H2,1-2H3,(H2,29,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSKIPVOCQKUPLW-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