General Information of the Compound
| Compound ID |
CP0455826
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3-hydroxyphenyl)-2-[4-[2-[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]ethoxy]phenyl]-4-methyl-2H-chromen-6-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33NO5
|
||||||||||||||||||
| Molecular Weight |
487.596
|
||||||||||||||||||
| Canonical SMILES |
COC[C@@H]1CCN(CCOc2ccc(cc2)C2Oc3ccc(O)cc3C(C)=C2c2cccc(O)c2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33NO5/c1-20-27-17-25(33)8-11-28(27)36-30(29(20)23-4-3-5-24(32)16-23)22-6-9-26(10-7-22)35-15-14-31-13-12-21(18-31)19-34-2/h3-11,16-17,21,30,32-33H,12-15,18-19H2,1-2H3/t21-,30?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CVHNZZJRKMOHEJ-BPADPFCFSA-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