General Information of the Compound
| Compound ID |
CP0505094
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL16468
Show/Hide
|
||||||||||||||||||
| Formula |
C28H30N2O3
|
||||||||||||||||||
| Molecular Weight |
442.559
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1C(=O)NC[C@@]1(CC[C@@H](CC1)NC(=O)c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N2O3/c1-33-25-15-9-8-14-24(25)27(32)29-20-28(22-12-6-3-7-13-22)18-16-23(17-19-28)30-26(31)21-10-4-2-5-11-21/h2-15,23H,16-20H2,1H3,(H,29,32)(H,30,31)/t23-,28-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNTCVZSPYIRDGT-UEZMCPDZSA-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 | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| 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