General Information of the Compound
| Compound ID |
CP0279314
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-methylpropanoyl)thiophene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H27N5O4S
|
||||||||||||||||||
| Molecular Weight |
517.611
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C(=O)c1ccc(s1)C(=O)Nc1nc2cc(ccc2n1CCC(N)=O)N(C)C(=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27N5O4S/c1-16(2)24(34)21-11-12-22(37-21)25(35)30-27-29-19-15-18(9-10-20(19)32(27)14-13-23(28)33)31(3)26(36)17-7-5-4-6-8-17/h4-12,15-16H,13-14H2,1-3H3,(H2,28,33)(H,29,30,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUQHWQFKZDOVQP-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