General Information of the Compound
| Compound ID |
CP0542532
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[2-(2,3-dihydro-1H-inden-2-ylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-5-(1H-1,2,4-triazol-5-yl)pentan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27N7O
|
||||||||||||||||||
| Molecular Weight |
417.517
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCCc1nnc[nH]1)N1CCc2nc(NC3Cc4ccccc4C3)ncc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27N7O/c31-22(8-4-3-7-21-25-15-26-29-21)30-10-9-20-18(14-30)13-24-23(28-20)27-19-11-16-5-1-2-6-17(16)12-19/h1-2,5-6,13,15,19H,3-4,7-12,14H2,(H,24,27,28)(H,25,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RETKKMHFGPNHKX-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