General Information of the Compound
| Compound ID |
CP0380407
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-(4-methoxy-phenyl)-4-(5-oxo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-1-ylmethyl)-5H-furan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C34H26O7
|
||||||||||||||||||
| Molecular Weight |
546.575
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C1(O)OC(=O)C(=C1Cc1cccc2c1CCc1ccccc1C2=O)c1ccc2OCOc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H26O7/c1-38-24-13-11-23(12-14-24)34(37)28(31(33(36)41-34)22-10-16-29-30(18-22)40-19-39-29)17-21-6-4-8-27-25(21)15-9-20-5-2-3-7-26(20)32(27)35/h2-8,10-14,16,18,37H,9,15,17,19H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDPRKEQNBXVDKN-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: PT01783, Endothelin receptor type B
Protein ID: PT01372, Endothelin-1 receptor