General Information of the Compound
| Compound ID |
CP0949376
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-[(2R)-3-anilino-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25NO3
|
||||||||||||||||||
| Molecular Weight |
375.468
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CNc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25NO3/c26-21(17-25-20-11-5-2-6-12-20)18-28-24-14-8-7-13-22(24)23(27)16-15-19-9-3-1-4-10-19/h1-14,21,25-26H,15-18H2/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YHTIQUARFRYUQD-OAQYLSRUSA-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