General Information of the Compound
| Compound ID |
CP0300558
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(6-(3-methylpiperazin-1-yl)pyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H28N6O3
|
||||||||||||||||||
| Molecular Weight |
436.516
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(Nc2nccc(n2)-c2ccc(nc2)N2CCN[C@@H](C)C2)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H28N6O3/c1-15-14-29(10-9-24-15)21-6-5-16(13-26-21)18-7-8-25-23(28-18)27-17-11-19(30-2)22(32-4)20(12-17)31-3/h5-8,11-13,15,24H,9-10,14H2,1-4H3,(H,25,27,28)/t15-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GIOJCQJQBGTVBI-HNNXBMFYSA-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