General Information of the Compound
| Compound ID |
CP0565959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL2160032
Show/Hide
|
||||||||||||||||||
| Formula |
C30H31N3O2
|
||||||||||||||||||
| Molecular Weight |
465.597
|
||||||||||||||||||
| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccncc1)C(=O)c1ccc(o1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31N3O2/c1-31-26-10-12-27(13-11-26)33(21-22-6-5-9-25(20-22)23-16-18-32-19-17-23)30(34)29-15-14-28(35-29)24-7-3-2-4-8-24/h2-9,14-20,26-27,31H,10-13,21H2,1H3/t26-,27-
Show/Hide
|
||||||||||||||||||
| InChIKey |
AWYVJCVSAAZSKV-MCZWQBSQSA-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