General Information of the Compound
| Compound ID |
CP0404588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2Z,3R)-5-[4-[3-(2-amino-2-oxoethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]-3-(3,4-dichlorophenyl)-2-methoxyiminopentyl]-3,5-dichloro-N-ethylbenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H38Cl4N6O4
|
||||||||||||||||||
| Molecular Weight |
748.539
|
||||||||||||||||||
| Canonical SMILES |
CCN(C\C(=N/OC)[C@H](CCN1CCC(CC1)n1c2ccccc2n(CC(N)=O)c1=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)cc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H38Cl4N6O4/c1-3-43(34(47)23-16-24(36)19-25(37)17-23)20-30(41-49-2)27(22-8-9-28(38)29(39)18-22)12-15-42-13-10-26(11-14-42)45-32-7-5-4-6-31(32)44(35(45)48)21-33(40)46/h4-9,16-19,26-27H,3,10-15,20-21H2,1-2H3,(H2,40,46)/b41-30+/t27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LZETVSMMDKRIBU-UVIULGBXSA-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