General Information of the Compound
| Compound ID |
CP0574355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-[6-(dimethylamino)pyrimidin-4-yl]-4-[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]-1,4,9-triazaspiro[5.5]undecan-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H41N7O
|
||||||||||||||||||
| Molecular Weight |
491.684
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1cc(ncn1)N1CCC2(CC1)CN(CC(=O)N2)c1ccc(CN2CCC(C)(C)CC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H41N7O/c1-27(2)9-13-33(14-10-27)18-22-5-7-23(8-6-22)35-19-26(36)31-28(20-35)11-15-34(16-12-28)25-17-24(32(3)4)29-21-30-25/h5-8,17,21H,9-16,18-20H2,1-4H3,(H,31,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VPHBXKKUEFVTMG-UHFFFAOYSA-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