General Information of the Compound
Compound ID
CP0812663
Compound Name
N-acetyl-(S)-prolyl-(S)-leucyl-(S)-phenylalanylglycine
    Show/Hide
Structure
Formula
C24H34N4O6
Molecular Weight
474.558
Canonical SMILES
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
    Show/Hide
InChI
InChI=1S/C24H34N4O6/c1-15(2)12-18(27-24(34)20-10-7-11-28(20)16(3)29)23(33)26-19(22(32)25-14-21(30)31)13-17-8-5-4-6-9-17/h4-6,8-9,15,18-20H,7,10-14H2,1-3H3,(H,25,32)(H,26,33)(H,27,34)(H,30,31)/t18-,19-,20-/m0/s1
    Show/Hide
InChIKey
JGBONPYKICEYHA-UFYCRDLUSA-N
Physicochemical Property
logP
0.4565
Rotatable Bonds
11
Heavy Atom Count
34
Polar Areas
144.91
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
5
Complexity
34

"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
CID: 71454256
ChEMBL ID
CHEMBL2207149
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: PT02659, Peptidyl-glycine alpha-amidating monooxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000506 DMS 53 Homo sapiens (Human)  1
1
Km = 6000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 7000 nM