General Information of the Compound
| Compound ID |
CP0409242
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4R,5R,6R)-4-benzyl-5-hydroxy-1,3-bis(3-hydroxyphenyl)-6-(2-phenylethyl)-1,3-diazinan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30N2O4
|
||||||||||||||||||
| Molecular Weight |
494.591
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](CCc2ccccc2)N(C(=O)N([C@@H]1Cc1ccccc1)c1cccc(O)c1)c1cccc(O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30N2O4/c34-26-15-7-13-24(20-26)32-28(18-17-22-9-3-1-4-10-22)30(36)29(19-23-11-5-2-6-12-23)33(31(32)37)25-14-8-16-27(35)21-25/h1-16,20-21,28-30,34-36H,17-19H2/t28-,29-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHLOBVCFHPPZKS-IDZRBWSNSA-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