General Information of the Compound
| Compound ID |
CP0895149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Naphthalene-2-carboxylic acid 3-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-benzylamide oxalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H33N3O6
|
||||||||||||||||||
| Molecular Weight |
555.631
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1N1CCN(Cc2cccc(CNC(=O)c3ccc4ccccc4c3)c2)CC1.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H31N3O2.C2H2O4/c1-35-29-12-5-4-11-28(29)33-17-15-32(16-18-33)22-24-8-6-7-23(19-24)21-31-30(34)27-14-13-25-9-2-3-10-26(25)20-27;3-1(4)2(5)6/h2-14,19-20H,15-18,21-22H2,1H3,(H,31,34);(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XIEUIDUUQKULBC-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
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor