General Information of the Compound
| Compound ID |
CP0573640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
12-[3-(4-methylpiperazin-1-yl)phenyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N6
|
||||||||||||||||||
| Molecular Weight |
368.444
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1cccc(c1)-c1cnc2[nH]c3cnc(cc3c2c1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N6/c1-27-5-7-28(8-6-27)18-4-2-3-15(9-18)16-10-20-19-11-17(12-23)24-14-21(19)26-22(20)25-13-16/h2-4,9-11,13-14H,5-8H2,1H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKBADOYJGAGSRI-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