General Information of the Compound
| Compound ID |
CP0539017
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(NE)-N-[6-[(1-pyrimidin-4-ylpiperidin-4-yl)amino]-2-thieno[3,2-c]pyridin-6-ylchromen-4-ylidene]hydroxylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H22N6O2S
|
||||||||||||||||||
| Molecular Weight |
470.558
|
||||||||||||||||||
| Canonical SMILES |
O\N=c1/cc(oc2ccc(NC3CCN(CC3)c3ccncn3)cc12)-c1cc2sccc2cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H22N6O2S/c32-30-20-12-23(21-13-24-16(14-27-21)6-10-34-24)33-22-2-1-18(11-19(20)22)29-17-4-8-31(9-5-17)25-3-7-26-15-28-25/h1-3,6-7,10-15,17,29,32H,4-5,8-9H2/b30-20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWFJDYBOESTXGX-TWKHWXDSSA-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