General Information of the Compound
Compound ID
CP0768479
Compound Name
N-acetyl-(S)-leucyl-(S)-phenylalanylglycine
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Structure
Formula
C19H27N3O5
Molecular Weight
377.441
Canonical SMILES
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
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InChI
InChI=1S/C19H27N3O5/c1-12(2)9-15(21-13(3)23)19(27)22-16(18(26)20-11-17(24)25)10-14-7-5-4-6-8-14/h4-8,12,15-16H,9-11H2,1-3H3,(H,20,26)(H,21,23)(H,22,27)(H,24,25)/t15-,16-/m0/s1
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InChIKey
VRWNMZUTDHZPQZ-HOTGVXAUSA-N
Physicochemical Property
logP
0.4655
Rotatable Bonds
10
Heavy Atom Count
27
Polar Areas
124.6
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
4
Complexity
27

"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).

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PubChem ID
CID: 71463173
ChEMBL ID
CHEMBL2207148
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 = 8000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 11000 nM