General Information of the Compound
| Compound ID |
CP0272711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9359372, DC037030
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23NO4
|
||||||||||||||||||
| Molecular Weight |
341.407
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2CCN3Cc4c(OC)ccc(OC)c4C[C@H]3c2cc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23NO4/c1-23-18-4-5-19(24-2)15-11-21-7-6-12-8-20(25-3)17(22)10-13(12)16(21)9-14(15)18/h4-5,8,10,16,22H,6-7,9,11H2,1-3H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QTZLXFFBWVRFEC-INIZCTEOSA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01195, D(1A) dopamine receptor