General Information of the Compound
| Compound ID |
CP0428376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9447038, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35N3O7
|
||||||||||||||||||
| Molecular Weight |
537.613
|
||||||||||||||||||
| Canonical SMILES |
CCCN(Cc1ccc(OCCn2c(=O)ccn(C)c2=O)c(OC)c1)C(CC(O)=O)c1ccc2OCCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35N3O7/c1-4-11-31(23(18-28(34)35)21-6-8-24-22(17-21)10-14-38-24)19-20-5-7-25(26(16-20)37-3)39-15-13-32-27(33)9-12-30(2)29(32)36/h5-9,12,16-17,23H,4,10-11,13-15,18-19H2,1-3H3,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBTJJMAEKKFQTE-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