General Information of the Compound
| Compound ID |
CP0458550
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9469631, 122
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31N3O4
|
||||||||||||||||||
| Molecular Weight |
437.54
|
||||||||||||||||||
| Canonical SMILES |
O=C(OC1CCCCC1)N1CCC(CC1)N(C1CC1)C(=O)c1ccc(cc1)-c1cnco1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31N3O4/c29-24(19-8-6-18(7-9-19)23-16-26-17-31-23)28(20-10-11-20)21-12-14-27(15-13-21)25(30)32-22-4-2-1-3-5-22/h6-9,16-17,20-22H,1-5,10-15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTISWISYKPMVTA-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