General Information of the Compound
| Compound ID |
CP0449558
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL380499
Show/Hide
|
||||||||||||||||||
| Formula |
C28H26ClN3O4
|
||||||||||||||||||
| Molecular Weight |
503.986
|
||||||||||||||||||
| Canonical SMILES |
CC1=NC(C)=C(C(\C1=C(/O)OCCC(c1ccccn1)c1ccccn1)c1cccc(Cl)c1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H26ClN3O4/c1-17-24(27(33)34)26(19-8-7-9-20(29)16-19)25(18(2)32-17)28(35)36-15-12-21(22-10-3-5-13-30-22)23-11-4-6-14-31-23/h3-11,13-14,16,21,26,35H,12,15H2,1-2H3,(H,33,34)/b28-25+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BYUOFIBSOBKYKW-AZPGRJICSA-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