General Information of the Compound
| Compound ID |
CP0574209
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-ethoxy-2-methyl-N-[[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]carbamoyl]-5-morpholin-4-ylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36N6O4S
|
||||||||||||||||||
| Molecular Weight |
552.701
|
||||||||||||||||||
| Canonical SMILES |
CCOc1cc(C)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36N6O4S/c1-4-38-24-15-19(2)21(17-23(24)34-11-13-37-14-12-34)26(35)30-27(36)31-28-29-22-6-5-20(16-25(22)39-28)18-33-9-7-32(3)8-10-33/h5-6,15-17H,4,7-14,18H2,1-3H3,(H2,29,30,31,35,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBPIGLSGJHKQCQ-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