General Information of the Compound
| Compound ID |
CP0544200
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| Compound Name |
4-N-[2-(2,3-dichlorophenyl)ethyl]-2-N-[2-(1H-indol-3-yl)ethyl]-1,3,5-triazine-2,4,6-triamine
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| Structure |
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| Formula |
C21H21Cl2N7
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| Molecular Weight |
442.354
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| Canonical SMILES |
Nc1nc(NCCc2c[nH]c3ccccc23)nc(NCCc2cccc(Cl)c2Cl)n1
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| InChI |
InChI=1S/C21H21Cl2N7/c22-16-6-3-4-13(18(16)23)8-10-25-20-28-19(24)29-21(30-20)26-11-9-14-12-27-17-7-2-1-5-15(14)17/h1-7,12,27H,8-11H2,(H4,24,25,26,28,29,30)
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| InChIKey |
ZOAXAKJUBSMZJB-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