General Information of the Compound
| Compound ID |
CP0918562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-{1-[(S)-4-(1-Benzo[1,3]dioxol-5-ylmethyl-piperidin-4-ylmethyl)-benzoylamino]-propyl}-benzoic acid methyl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36N2O5
|
||||||||||||||||||
| Molecular Weight |
528.649
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](NC(=O)c1ccc(CC2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)c1ccc(C(=O)OC)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36N2O5/c1-3-28(25-9-11-27(12-10-25)32(36)37-2)33-31(35)26-7-4-22(5-8-26)18-23-14-16-34(17-15-23)20-24-6-13-29-30(19-24)39-21-38-29/h4-13,19,23,28H,3,14-18,20-21H2,1-2H3,(H,33,35)/t28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JZWPGSFFJGSHMD-NDEPHWFRSA-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