General Information of the Compound
| Compound ID |
CP0356105
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-N-[4-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-fluorophenyl]-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,2,4-triazole-3,5-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30FN9S
|
||||||||||||||||||
| Molecular Weight |
519.654
|
||||||||||||||||||
| Canonical SMILES |
Cc1csc2c(ncnc12)-n1nc(Nc2ccc(N3CCN(CC3)C3CC4CCC3C4)c(F)c2)nc1N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30FN9S/c1-15-13-37-23-22(15)29-14-30-24(23)36-25(28)32-26(33-36)31-18-4-5-20(19(27)12-18)34-6-8-35(9-7-34)21-11-16-2-3-17(21)10-16/h4-5,12-14,16-17,21H,2-3,6-11H2,1H3,(H3,28,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FPGPZMJVRSBDDP-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