General Information of the Compound
| Compound ID |
CP0572635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4758899
Show/Hide
|
||||||||||||||||||
| Formula |
C20H23N3O4
|
||||||||||||||||||
| Molecular Weight |
369.421
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N3O4/c1-23-15-11-21-18(22-12-6-8-13(24)9-7-12)10-17(15)27-19-14(20(23)25)4-3-5-16(19)26-2/h3-5,10-13,24H,6-9H2,1-2H3,(H,21,22)/t12-,13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZMHYPFNJWLHCSC-JOCQHMNTSA-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