General Information of the Compound
| Compound ID |
CP0018951
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4228258
Show/Hide
|
||||||||||||||||||
| Formula |
C24H27N3O5
|
||||||||||||||||||
| Molecular Weight |
437.496
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3cc4OCCOc4cn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N3O5/c1-28-19-3-4-21-20(11-19)16(6-7-25-21)2-5-24-31-14-18(15-32-24)26-12-17-10-22-23(13-27-17)30-9-8-29-22/h3-4,6-7,10-11,13,18,24,26H,2,5,8-9,12,14-15H2,1H3/t18-,24-
Show/Hide
|
||||||||||||||||||
| InChIKey |
NIYHGMQLZAKUHX-XZMJRDFISA-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