General Information of the Compound
| Compound ID |
CP0538553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S)-5-butyl-9-(1-(2,4-dimethylnicotinoyl)-4-methylpiperidin-4-yl)-3-((tetrahydro-2H-pyran-2-yl)methyl)-1-oxa-3,9-diazaspiro[5.5]undecan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H50N4O4
|
||||||||||||||||||
| Molecular Weight |
554.776
|
||||||||||||||||||
| Canonical SMILES |
CCCC[C@H]1CN(CC2CCCCO2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ccnc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H50N4O4/c1-5-6-9-26-22-35(23-27-10-7-8-21-39-27)30(38)40-32(26)14-19-36(20-15-32)31(4)12-17-34(18-13-31)29(37)28-24(2)11-16-33-25(28)3/h11,16,26-27H,5-10,12-15,17-23H2,1-4H3/t26-,27?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VQXGQXVCZKFEQP-QBHOUYDASA-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