General Information of the Compound
| Compound ID |
CP0533244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2R)-piperidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33N5O2
|
||||||||||||||||||
| Molecular Weight |
483.616
|
||||||||||||||||||
| Canonical SMILES |
CN(C[C@H]1CCCCN1)Cc1c(cnc2ncn(-c3cccc(O)c3)c(=O)c12)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33N5O2/c1-19-11-20(2)13-21(12-19)25-15-31-28-27(26(25)17-33(3)16-22-7-4-5-10-30-22)29(36)34(18-32-28)23-8-6-9-24(35)14-23/h6,8-9,11-15,18,22,30,35H,4-5,7,10,16-17H2,1-3H3/t22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKSXRMBAFYCRPH-JOCHJYFZSA-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