General Information of the Compound
| Compound ID |
CP0451281
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| Compound Name |
4-[1-(2,5-dichlorophenoxy)butyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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| Formula |
C18H24Cl2N6O
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| Molecular Weight |
411.337
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| Canonical SMILES |
CCCC(Oc1cc(Cl)ccc1Cl)c1nc(N)nc(n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C18H24Cl2N6O/c1-3-4-14(27-15-11-12(19)5-6-13(15)20)16-22-17(21)24-18(23-16)26-9-7-25(2)8-10-26/h5-6,11,14H,3-4,7-10H2,1-2H3,(H2,21,22,23,24)
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| InChIKey |
XILSSYCQBDFLEK-UHFFFAOYSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor