General Information of the Compound
| Compound ID |
CP0955541
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(6-(2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-2-phenylethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H20N4O2
|
||||||||||||||||||
| Molecular Weight |
360.417
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H20N4O2/c1-27-19-10-6-5-9-15(19)17-11-16-20(24-17)22-13-23-21(16)25-18(12-26)14-7-3-2-4-8-14/h2-11,13,18,26H,12H2,1H3,(H2,22,23,24,25)/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HXSDKMUJXCRATG-GOSISDBHSA-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