General Information of the Compound
| Compound ID |
CP0409129
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(3-ethylcarbamoylmethyl-2-oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-2-[(Z)-methoxyimino]-pentyl}-N-ethyl-benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C37H42Cl4N6O4
|
||||||||||||||||||
| Molecular Weight |
776.593
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)Cn1c2ccccc2n(C2CCN(CC[C@@H](\C(CN(CC)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H42Cl4N6O4/c1-4-42-35(48)23-46-33-8-6-7-9-34(33)47(37(46)50)28-12-15-44(16-13-28)17-14-29(24-10-11-30(40)31(41)20-24)32(43-51-3)22-45(5-2)36(49)25-18-26(38)21-27(39)19-25/h6-11,18-21,28-29H,4-5,12-17,22-23H2,1-3H3,(H,42,48)/b43-32+/t29-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XTUKHLMHDAVVDE-HAWKBGDOSA-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
Protein ID: PT01199, Neuromedin-K receptor
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor