General Information of the Compound
| Compound ID |
CP0435897
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-{4-[(6-{4-[(1S)-1-(4-methoxyphenyl)ethyl]piperazin-1-yl}pyrimidin-4-yl)oxy]-1,3-benzothiazol-2-yl}acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N6O3S
|
||||||||||||||||||
| Molecular Weight |
504.616
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(C)N1CCN(CC1)c1cc(Oc2cccc3sc(NC(C)=O)nc23)ncn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N6O3S/c1-17(19-7-9-20(34-3)10-8-19)31-11-13-32(14-12-31)23-15-24(28-16-27-23)35-21-5-4-6-22-25(21)30-26(36-22)29-18(2)33/h4-10,15-17H,11-14H2,1-3H3,(H,29,30,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKQOQQQBQOCRAL-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