General Information of the Compound
| Compound ID |
CP0575843
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-(2H-triazol-4-yl)pyrido[4,3-d]pyrimidin-5-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N11O
|
||||||||||||||||||
| Molecular Weight |
461.534
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC(CC1)n1cc(Nc2nc(NC3(C)CC3)c3c(ccn(-c4cnn[nH]4)c3=O)n2)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N11O/c1-22(6-7-22)28-19-18-16(5-10-32(20(18)34)17-12-23-30-29-17)26-21(27-19)25-14-11-24-33(13-14)15-3-8-31(2)9-4-15/h5,10-13,15H,3-4,6-9H2,1-2H3,(H,23,29,30)(H2,25,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNLJSSFJNRETSW-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