General Information of the Compound
| Compound ID |
CP0476968
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9212171, 5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H25N3O3
|
||||||||||||||||||
| Molecular Weight |
439.515
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)C(CC1(C)C)(C(=O)OCc1ccccc1)c1ncc(cn1)C#Cc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H25N3O3/c1-26(2)19-27(24(31)30(26)3,25(32)33-18-21-12-8-5-9-13-21)23-28-16-22(17-29-23)15-14-20-10-6-4-7-11-20/h4-13,16-17H,18-19H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCKOKWHSVCIPNK-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