General Information of the Compound
| Compound ID |
CP0437891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(3-aminopropyl)-2-(1H-indol-3-yl)-N-(2-methyl-3-phenylallyl)-2-oxoacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N3O2
|
||||||||||||||||||
| Molecular Weight |
375.472
|
||||||||||||||||||
| Canonical SMILES |
C\C(CN(CCCN)C(=O)C(=O)c1c[nH]c2ccccc12)=C/c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N3O2/c1-17(14-18-8-3-2-4-9-18)16-26(13-7-12-24)23(28)22(27)20-15-25-21-11-6-5-10-19(20)21/h2-6,8-11,14-15,25H,7,12-13,16,24H2,1H3/b17-14+
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCZXQRUWNWMHNK-SAPNQHFASA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor