General Information of the Compound
| Compound ID |
CP0059738
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9H-Xanthene-9-carboxylic acid (1-benzyl-piperidin-4-yl)-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N2O2
|
||||||||||||||||||
| Molecular Weight |
398.506
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCN(Cc2ccccc2)CC1)C1c2ccccc2Oc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N2O2/c29-26(27-20-14-16-28(17-15-20)18-19-8-2-1-3-9-19)25-21-10-4-6-12-23(21)30-24-13-7-5-11-22(24)25/h1-13,20,25H,14-18H2,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UWQDGCAENPSCTL-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 | |||||||||||||||||||