General Information of the Compound
| Compound ID |
CP0382746
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| Compound Name |
4-[1-(3-chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
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| Structure |
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| Formula |
C16H21ClN6O
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| Molecular Weight |
348.838
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| Canonical SMILES |
CC(Oc1cccc(Cl)c1)c1nc(N)nc(n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C16H21ClN6O/c1-11(24-13-5-3-4-12(17)10-13)14-19-15(18)21-16(20-14)23-8-6-22(2)7-9-23/h3-5,10-11H,6-9H2,1-2H3,(H2,18,19,20,21)
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| InChIKey |
PIEDPXPDSBJFCQ-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor