General Information of the Compound
| Compound ID |
CP0542762
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| Compound Name |
2-N-[6-[4-(2,3-dichlorophenyl)piperazin-1-yl]hexyl]-1,3,5-triazine-2,4,6-triamine
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| Structure |
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| Formula |
C19H28Cl2N8
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| Molecular Weight |
439.395
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| Canonical SMILES |
Nc1nc(N)nc(NCCCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)n1
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| InChI |
InChI=1S/C19H28Cl2N8/c20-14-6-5-7-15(16(14)21)29-12-10-28(11-13-29)9-4-2-1-3-8-24-19-26-17(22)25-18(23)27-19/h5-7H,1-4,8-13H2,(H5,22,23,24,25,26,27)
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| InChIKey |
FZRJIKQGMGQNFB-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