General Information of the Compound
| Compound ID |
CP0571360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-N-[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]-5-(diaminomethylideneamino)-2-(3,3-diphenylprop-2-enoylamino)pentanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H36N6O3
|
||||||||||||||||||
| Molecular Weight |
540.668
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NCCC[C@@H](NC(=O)C=C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H36N6O3/c32-29(39)26(19-18-22-11-4-1-5-12-22)37-30(40)27(17-10-20-35-31(33)34)36-28(38)21-25(23-13-6-2-7-14-23)24-15-8-3-9-16-24/h1-9,11-16,21,26-27H,10,17-20H2,(H2,32,39)(H,36,38)(H,37,40)(H4,33,34,35)/t26-,27+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UVPXCTIIUXCMDY-RRPNLBNLSA-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 | |||||||||||||||||||
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: PT04406, Neuropeptide FF receptor 1
Protein ID: PT02666, Neuropeptide FF receptor 2