General Information of the Compound
| Compound ID |
CP0544198
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| Compound Name |
6-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-N-[2-(1H-indol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C23H24Cl2N8
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| Molecular Weight |
483.407
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| Canonical SMILES |
Nc1nc(NCCc2c[nH]c3ccccc23)nc(n1)N1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C23H24Cl2N8/c24-17-5-3-7-19(20(17)25)32-10-12-33(13-11-32)23-30-21(26)29-22(31-23)27-9-8-15-14-28-18-6-2-1-4-16(15)18/h1-7,14,28H,8-13H2,(H3,26,27,29,30,31)
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| InChIKey |
KMXCBWFCHIVUJL-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