General Information of the Compound
Compound ID
CP0768478
Compound Name
glycyl-(S)-alanyl-(S)-phenylalanylglycine
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Structure
Formula
C16H22N4O5
Molecular Weight
350.375
Canonical SMILES
C[C@H](NC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O
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InChI
InChI=1S/C16H22N4O5/c1-10(19-13(21)8-17)15(24)20-12(16(25)18-9-14(22)23)7-11-5-3-2-4-6-11/h2-6,10,12H,7-9,17H2,1H3,(H,18,25)(H,19,21)(H,20,24)(H,22,23)/t10-,12-/m0/s1
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InChIKey
JCSPJAVHJBMCBN-JQWIXIFHSA-N
Physicochemical Property
logP
-1.6219
Rotatable Bonds
9
Heavy Atom Count
25
Polar Areas
150.62
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
5
Complexity
25

"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: 71463169
ChEMBL ID
CHEMBL2207124
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 = 40000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 35000 nM