General Information of the Compound
Compound ID
CP0566567
Compound Name
4-[(2-chlorophenyl)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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Structure
Formula
C15H19ClN6
Molecular Weight
318.812
Canonical SMILES
CN1CCN(CC1)c1nc(N)nc(Cc2ccccc2Cl)n1
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InChI
InChI=1S/C15H19ClN6/c1-21-6-8-22(9-7-21)15-19-13(18-14(17)20-15)10-11-4-2-3-5-12(11)16/h2-5H,6-10H2,1H3,(H2,17,18,19,20)
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InChIKey
STILQLRSINBZGF-UHFFFAOYSA-N
Physicochemical Property
logP
1.4498
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
71.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
22

"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: 137649536
ChEMBL ID
CHEMBL4077077
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: PT01354, 5-hydroxytryptamine receptor 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 56 nM
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