General Information of the Compound
| Compound ID |
CP0950402
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-N-(1-((1-oxo-3-phenyl-1-((1-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-yl)methylamino)propan-2-yl)carbamoyl)cyclopentyl)-3-ethoxybenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H50N4O5
|
||||||||||||||||||
| Molecular Weight |
618.819
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cccc(C(=O)NC2(C(=O)N[C@H](Cc3ccccc3)C(=O)NCC3CCN(CC4CCOCC4)CC3)CCCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H50N4O5/c1-2-45-31-12-8-11-30(24-31)33(41)39-36(17-6-7-18-36)35(43)38-32(23-27-9-4-3-5-10-27)34(42)37-25-28-13-19-40(20-14-28)26-29-15-21-44-22-16-29/h3-5,8-12,24,28-29,32H,2,6-7,13-23,25-26H2,1H3,(H,37,42)(H,38,43)(H,39,41)/t32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NMVZWNCQWXRSME-JGCGQSQUSA-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