General Information of the Compound
| Compound ID |
CP0556061
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802711, 3
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N3O3
|
||||||||||||||||||
| Molecular Weight |
365.433
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1Oc2c(NC(=O)N[C@@H]3CC[C@@H](C3)c3ccccc3)cccc2NC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N3O3/c1-13-20(25)23-17-8-5-9-18(19(17)27-13)24-21(26)22-16-11-10-15(12-16)14-6-3-2-4-7-14/h2-9,13,15-16H,10-12H2,1H3,(H,23,25)(H2,22,24,26)/t13-,15+,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWCGLMWGYCDORZ-VNQPRFMTSA-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