General Information of the Compound
| Compound ID |
CP0577222
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6S)-2-amino-6-[2-chloro-3-[(6-cyclopropylpyridin-3-yl)amino]phenyl]-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-5H-pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H30ClN5O2
|
||||||||||||||||||
| Molecular Weight |
468.001
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1C[C@H](CCO1)N1C(=O)C[C@](C)(NC1=N)c1cccc(Nc2ccc(nc2)C2CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H30ClN5O2/c1-15-12-18(10-11-33-15)31-22(32)13-25(2,30-24(31)27)19-4-3-5-21(23(19)26)29-17-8-9-20(28-14-17)16-6-7-16/h3-5,8-9,14-16,18,29H,6-7,10-13H2,1-2H3,(H2,27,30)/t15-,18-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NRQARCCHBBGTDO-LCAJTWGOSA-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 | |||||||||||||||||||
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