General Information of the Compound
| Compound ID |
CP0265682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-5-[4-(2-Thiomorpholin-4-yl-ethoxy)-phenyl]-11,12-dihydro-5H-6,13-dioxa-benzo[3,4]cyclohepta[1,2-a]naphthalene-2,8-diol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H29NO5S
|
||||||||||||||||||
| Molecular Weight |
503.62
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCSCC2)cc1)c1ccc(O)cc1OCC3
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H29NO5S/c31-20-4-8-25-26(17-20)34-13-9-24-23-7-3-21(32)18-27(23)35-29(28(24)25)19-1-5-22(6-2-19)33-14-10-30-11-15-36-16-12-30/h1-8,17-18,29,31-32H,9-16H2/t29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PYORKCIXTGLRQL-GDLZYMKVSA-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