General Information of the Compound
| Compound ID |
CP0383195
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4225277
Show/Hide
|
||||||||||||||||||
| Formula |
C26H31N3O3
|
||||||||||||||||||
| Molecular Weight |
433.552
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3CC[C@@H](CC3)NCc3cc4OCCOc4cn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31N3O3/c1-30-22-8-9-24-23(15-22)19(10-11-27-24)5-2-18-3-6-20(7-4-18)28-16-21-14-25-26(17-29-21)32-13-12-31-25/h8-11,14-15,17-18,20,28H,2-7,12-13,16H2,1H3/t18-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AIFMRHRKFOQOQP-KESTWPANSA-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