General Information of the Compound
| Compound ID |
CP0378260
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]-quinoxalin-6-ylmethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30Cl2N4O2
|
||||||||||||||||||
| Molecular Weight |
513.469
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2nccnc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30Cl2N4O2/c1-35-26-17-33(11-6-19(26)14-18-2-4-22(28)23(29)15-18)21-7-12-32(13-8-21)27(34)20-3-5-24-25(16-20)31-10-9-30-24/h2-5,9-10,15-16,19,21,26H,6-8,11-14,17H2,1H3/t19-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMCGOKASJNONCI-NIYFSFCBSA-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