General Information of the Compound
| Compound ID |
CP0421743
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(diaminomethylideneamino)propyl]-3-(1H-indol-3-yl)-N-(naphthalen-2-ylmethyl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N5O
|
||||||||||||||||||
| Molecular Weight |
427.552
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=NCCCN(Cc1ccc2ccccc2c1)C(=O)CCc1c[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N5O/c27-26(28)29-14-5-15-31(18-19-10-11-20-6-1-2-7-21(20)16-19)25(32)13-12-22-17-30-24-9-4-3-8-23(22)24/h1-4,6-11,16-17,30H,5,12-15,18H2,(H4,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AESDVUXZXPNTFN-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
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