General Information of the Compound
Compound ID
CP0816856
Compound Name
(S)-valylglycyl-(S)-alanyl-(S)-prolylglycine
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Structure
Formula
C17H29N5O6
Molecular Weight
399.448
Canonical SMILES
CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O
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InChI
InChI=1S/C17H29N5O6/c1-9(2)14(18)16(27)19-7-12(23)21-10(3)17(28)22-6-4-5-11(22)15(26)20-8-13(24)25/h9-11,14H,4-8,18H2,1-3H3,(H,19,27)(H,20,26)(H,21,23)(H,24,25)/t10-,11-,14-/m0/s1
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InChIKey
KGRJWMZFVYOGDR-MJVIPROJSA-N
Physicochemical Property
logP
-2.2176
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
170.93
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 71456013
ChEMBL ID
CHEMBL2207137
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 = 1000000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Km = 960000 nM