General Information of the Compound
| Compound ID |
CP0444906
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9469631, 103
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37N3O4
|
||||||||||||||||||
| Molecular Weight |
491.632
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)N(C1CC1)C1CCN(CC1)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37N3O4/c1-5-30-26(33)22-10-6-20(7-11-22)21-8-12-23(13-9-21)27(34)32(24-14-15-24)25-16-18-31(19-17-25)28(35)36-29(2,3)4/h6-13,24-25H,5,14-19H2,1-4H3,(H,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LMLOHGBSOSAVSG-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