General Information of the Compound
| Compound ID |
CP0524397
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 258
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N3O3
|
||||||||||||||||||
| Molecular Weight |
351.406
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)CCc2ccc(NC(=O)N[C@@H]3CCOc4ccccc34)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N3O3/c1-23-17-12-14(8-6-13(17)7-9-19(23)24)21-20(25)22-16-10-11-26-18-5-3-2-4-15(16)18/h2-6,8,12,16H,7,9-11H2,1H3,(H2,21,22,25)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WAYQHDMEJVYNTN-MRXNPFEDSA-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