General Information of the Compound
| Compound ID |
CP0579337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-5-[(2-methylphenyl)methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N5O
|
||||||||||||||||||
| Molecular Weight |
411.509
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1Cc1cc(=O)n2nc(Nc3c4CCCc4cc4CCCc34)nc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N5O/c1-15-6-2-3-7-16(15)13-19-14-22(31)30-25(26-19)28-24(29-30)27-23-20-10-4-8-17(20)12-18-9-5-11-21(18)23/h2-3,6-7,12,14H,4-5,8-11,13H2,1H3,(H2,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NSFNAEJDADBITE-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