General Information of the Compound
Compound ID |
CP0468380
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
3,5-diphenyl-4,5,7-triazatricyclo[7.4.0.0^{2,6}]trideca-1(9),2(6),3-trien-8-one
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C22H19N3O
|
||||||||||||||||||
Molecular Weight |
341.414
|
||||||||||||||||||
Canonical SMILES |
O=c1[nH]c2n(nc(-c3ccccc3)c2c2CCCCc12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C22H19N3O/c26-22-18-14-8-7-13-17(18)19-20(15-9-3-1-4-10-15)24-25(21(19)23-22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,23,26)
Show/Hide
|
||||||||||||||||||
InChIKey |
JSSDINRJYSMIFT-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