General Information of the Compound
| Compound ID |
CP0834035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-((6-(4-(((2-(Dimethylamino)ethyl)amino)methyl)-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-2-phenylethan-1-ol
Show/Hide
|
||||||||||||||||||
| Formula |
C26H32N6O2
|
||||||||||||||||||
| Molecular Weight |
460.582
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(CNCCN(C)C)ccc1-c1cc2c(N[C@H](CO)c3ccccc3)ncnc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N6O2/c1-32(2)12-11-27-15-18-9-10-20(24(13-18)34-3)22-14-21-25(30-22)28-17-29-26(21)31-23(16-33)19-7-5-4-6-8-19/h4-10,13-14,17,23,27,33H,11-12,15-16H2,1-3H3,(H2,28,29,30,31)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SPDGVJBWBHGXCW-HSZRJFAPSA-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 | |||||||||||||||||||
| 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