General Information of the Compound
Compound ID
CP0901839
Compound Name
N,N2-Dimethyl-N-{[4'-(morpholin-4-yl)biphenyl-3-yl]methyl}glycinamide (2R,3R)-tartrate
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Structure
Formula
C25H33N3O8
Molecular Weight
503.552
Canonical SMILES
CNCC(=O)N(C)Cc1cccc(-c2ccc(N3CCOCC3)cc2)c1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
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InChI
InChI=1S/C21H27N3O2.C4H6O6/c1-22-15-21(25)23(2)16-17-4-3-5-19(14-17)18-6-8-20(9-7-18)24-10-12-26-13-11-24;5-1(3(7)8)2(6)4(9)10/h3-9,14,22H,10-13,15-16H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
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InChIKey
YVRMPHNSKFOEPQ-LREBCSMRSA-N
Physicochemical Property
logP
0.2454
Rotatable Bonds
9
Heavy Atom Count
36
Polar Areas
159.87
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
8
Complexity
36

"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: 134137932
ChEMBL ID
CHEMBL3933487
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 > 100000 nM
   TI
   LI
   LO
   TS