General Information of the Compound
| Compound ID |
CP0427613
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
19-phenylmethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23NO3
|
||||||||||||||||||
| Molecular Weight |
385.463
|
||||||||||||||||||
| Canonical SMILES |
C(Oc1cccc2CN3CCc4cc5OCOc5cc4C3Cc12)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23NO3/c1-2-5-17(6-3-1)15-27-23-8-4-7-19-14-26-10-9-18-11-24-25(29-16-28-24)13-20(18)22(26)12-21(19)23/h1-8,11,13,22H,9-10,12,14-16H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WFKPNKOTCAMQAK-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor