General Information of the Compound
| Compound ID |
CP0946010
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9340542, 7
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N3O3
|
||||||||||||||||||
| Molecular Weight |
405.498
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cc2c([nH]c1=O)C[C@@]13CCN(CC4CC4)C[C@@]1(Cc1ccc(O)cc13)C2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N3O3/c25-21(29)18-7-16-10-23-9-15-3-4-17(28)8-19(15)24(23,11-20(16)26-22(18)30)5-6-27(13-23)12-14-1-2-14/h3-4,7-8,14,28H,1-2,5-6,9-13H2,(H2,25,29)(H,26,30)/t23-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VLOXZPHCPUPDBK-DNQXCXABSA-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