General Information of the Compound
| Compound ID |
CP0452108
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
propan-2-yl 4-[[6-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]pyridin-3-yl]oxymethyl]piperidine-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H39N5O4
|
||||||||||||||||||
| Molecular Weight |
461.607
|
||||||||||||||||||
| Canonical SMILES |
CC(C)NC(=O)CN1CCN(CC1)c1ccc(OCC2CCN(CC2)C(=O)OC(C)C)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H39N5O4/c1-18(2)26-23(30)16-27-11-13-28(14-12-27)22-6-5-21(15-25-22)32-17-20-7-9-29(10-8-20)24(31)33-19(3)4/h5-6,15,18-20H,7-14,16-17H2,1-4H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIPZSRVODREROU-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