General Information of the Compound
| Compound ID |
CP0466426
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10227334, Example 2-(4-((S)-2-(azetidin-1-yl)propoxy)phenyl)-3-(3-hydroxyphenyl)-4-methyl-2H- chromen-6-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29NO4
|
||||||||||||||||||
| Molecular Weight |
443.543
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](COc1ccc(cc1)C1Oc2ccc(O)cc2C(C)=C1c1cccc(O)c1)N1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29NO4/c1-18(29-13-4-14-29)17-32-24-10-7-20(8-11-24)28-27(21-5-3-6-22(30)15-21)19(2)25-16-23(31)9-12-26(25)33-28/h3,5-12,15-16,18,28,30-31H,4,13-14,17H2,1-2H3/t18-,28?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCHMIAOISTZARG-BVFFRPSBSA-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