General Information of the Compound
| Compound ID |
CP0550186
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9212153, 63
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H29N3O
|
||||||||||||||||||
| Molecular Weight |
447.582
|
||||||||||||||||||
| Canonical SMILES |
CN1OC2(C=C1N)c1cc(ccc1CCC21CCc2ccccc2CC1)-c1cccc(c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29N3O/c1-33-28(32)19-30(34-33)27-18-26(25-8-4-5-21(17-25)20-31)10-9-24(27)13-16-29(30)14-11-22-6-2-3-7-23(22)12-15-29/h2-10,17-19H,11-16,32H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HSIRLKXATQOPOW-UHFFFAOYSA-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