General Information of the Compound
Compound ID
CP0384502
Compound Name
N-cyclohexyl-4-methoxy-N-[(1-phenyltriazol-4-yl)methyl]benzamide
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Structure
Formula
C23H26N4O2
Molecular Weight
390.487
Canonical SMILES
COc1ccc(cc1)C(=O)N(Cc1cn(nn1)-c1ccccc1)C1CCCCC1
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InChI
InChI=1S/C23H26N4O2/c1-29-22-14-12-18(13-15-22)23(28)26(20-8-4-2-5-9-20)16-19-17-27(25-24-19)21-10-6-3-7-11-21/h3,6-7,10-15,17,20H,2,4-5,8-9,16H2,1H3
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InChIKey
STKFRXDSXMUHFW-UHFFFAOYSA-N
Physicochemical Property
logP
4.251
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
60.25
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
29

"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: 56668929
ChEMBL ID
CHEMBL1835896
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: PT02185, Sodium- and chloride-dependent glycine transporter 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 2511.89 nM
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Protein ID: PT01521, Sodium- and chloride-dependent glycine transporter 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 25118.86 nM
   TI
   LI
   LO
   TS