General Information of the Compound
Compound ID
CP0917664
Compound Name
N-Methyl-N-{[4'-(morpholin-4-ylcarbonyl)biphenyl-3-yl]methyl}glycinamide (2R,3R)-tartrate
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Structure
Formula
C25H31N3O9
Molecular Weight
517.535
Canonical SMILES
CN(Cc1cccc(-c2ccc(C(=O)N3CCOCC3)cc2)c1)C(=O)CN.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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InChI
InChI=1S/C21H25N3O3.C4H6O6/c1-23(20(25)14-22)15-16-3-2-4-19(13-16)17-5-7-18(8-6-17)21(26)24-9-11-27-12-10-24;5-1(3(7)8)2(6)4(9)10/h2-8,13H,9-12,14-15,22H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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InChIKey
BVEIUXVDMREOFG-LREBCSMRSA-N
Physicochemical Property
logP
-0.3795
Rotatable Bonds
8
Heavy Atom Count
37
Polar Areas
190.93
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
8
Complexity
37

"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: 134147690
ChEMBL ID
CHEMBL3949944
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: PT02562, Membrane primary amine oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 420 nM
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   LI
   LO
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