General Information of the Compound
| Compound ID |
CP0572730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-[2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N6O3S
|
||||||||||||||||||
| Molecular Weight |
508.648
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1nc(OC2CCN(CC2)C(=O)C=C)c2sccc2n1)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N6O3S/c1-4-23(33)32-10-7-19(8-11-32)35-25-24-21(9-16-36-24)28-26(29-25)27-20-6-5-18(17-22(20)34-3)31-14-12-30(2)13-15-31/h4-6,9,16-17,19H,1,7-8,10-15H2,2-3H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UULNNERBLIPYAK-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