General Information of the Compound
| Compound ID |
CP0874126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(4-(methyl(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)carbamoyl)phenyl)glycine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N7O3
|
||||||||||||||||||
| Molecular Weight |
499.575
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)c1ccc(NCC(=O)O)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N7O3/c1-32(27(37)18-7-9-19(10-8-18)28-17-24(35)36)20-12-15-34(16-13-20)26-22-6-4-3-5-21(22)25(30-31-26)23-11-14-29-33(23)2/h3-11,14,20,28H,12-13,15-17H2,1-2H3,(H,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKBDCYWCUTWZLF-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 | |||||||||||||||||||
| 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