General Information of the Compound
| Compound ID |
CP0512210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Biphenyl-2-carboxylic acid [2-[2-(4-dimethylamino-piperidin-1-yl)-2-oxo-ethoxy]-4-(5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-phenyl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H40N4O4S
|
||||||||||||||||||
| Molecular Weight |
636.818
|
||||||||||||||||||
| Canonical SMILES |
CN(C)C1CCN(CC1)C(=O)COc1cc(ccc1NC(=O)c1ccccc1-c1ccccc1)C(=O)N1CCCCc2sccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H40N4O4S/c1-39(2)28-17-21-40(22-18-28)35(42)25-45-33-24-27(37(44)41-20-9-8-14-34-32(41)19-23-46-34)15-16-31(33)38-36(43)30-13-7-6-12-29(30)26-10-4-3-5-11-26/h3-7,10-13,15-16,19,23-24,28H,8-9,14,17-18,20-22,25H2,1-2H3,(H,38,43)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLCAZWBNRXOFBZ-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