General Information of the Compound
| Compound ID |
CP0885912
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Phenylacetylamino-pentanedioic acid 5-amide 1-{[2-(1H-indol-3-yl)-1-phenethylcarbamoyl-ethyl]-amide}
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H35N5O4
|
||||||||||||||||||
| Molecular Weight |
553.663
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)CC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H35N5O4/c33-29(38)16-15-27(36-30(39)19-23-11-5-2-6-12-23)32(41)37-28(20-24-21-35-26-14-8-7-13-25(24)26)31(40)34-18-17-22-9-3-1-4-10-22/h1-14,21,27-28,35H,15-20H2,(H2,33,38)(H,34,40)(H,36,39)(H,37,41)/t27-,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCRZWUKUZGBBLX-NSOVKSMOSA-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: PT01996, Bombesin receptor subtype-3
Protein ID: PT02814, Gastrin-releasing peptide receptor
Protein ID: PT02963, Neuromedin-B receptor