General Information of the Compound
Compound ID
CP0573699
Compound Name
US8722896, (+)-(2S)-2-Amino-N- isobutylpropanamide
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Structure
Formula
C7H16N2O
Molecular Weight
144.218
Canonical SMILES
CC(C)CNC(=O)C(C)N
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InChI
InChI=1S/C7H16N2O/c1-5(2)4-9-7(10)6(3)8/h5-6H,4,8H2,1-3H3,(H,9,10)
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InChIKey
DOHLDWQZEPRKEW-UHFFFAOYSA-N
Physicochemical Property
logP
0.1058
Rotatable Bonds
3
Heavy Atom Count
10
Polar Areas
55.12
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
10

"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: 13750005
ChEMBL ID
CHEMBL3646236
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: PT00615, Prokineticin receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 9840 nM
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