General Information of the Compound
| Compound ID |
CP0429595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-N-[1-[6-[(4-methoxyphenyl)methyl]-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H34N6O2
|
||||||||||||||||||
| Molecular Weight |
486.62
|
||||||||||||||||||
| Canonical SMILES |
CCN(C1CCN(C1)c1nc(nc2CCN(Cc3ccc(OC)cc3)Cc12)-c1ccccn1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H34N6O2/c1-4-34(20(2)35)22-12-16-33(18-22)28-24-19-32(17-21-8-10-23(36-3)11-9-21)15-13-25(24)30-27(31-28)26-7-5-6-14-29-26/h5-11,14,22H,4,12-13,15-19H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PXZGJKNAQRZHFN-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