General Information of the Compound
| Compound ID |
CP0561990
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4873420
Show/Hide
|
||||||||||||||||||
| Formula |
C28H27N5O4
|
||||||||||||||||||
| Molecular Weight |
497.555
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Oc2ccc(cc2)-c2[nH]c3c(cnn3c2C(N)=O)C2CCN(CC2)C(=O)C#CC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N5O4/c1-3-4-24(34)32-15-13-18(14-16-32)23-17-30-33-26(27(29)35)25(31-28(23)33)19-5-7-21(8-6-19)37-22-11-9-20(36-2)10-12-22/h5-12,17-18,31H,13-16H2,1-2H3,(H2,29,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACEZALPCZPJDGJ-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