General Information of the Compound
| Compound ID |
CP0542764
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| Compound Name |
2-N-[2-(1H-indol-3-yl)ethyl]-6-[4-(2-methoxyphenyl)piperazin-1-yl]-1,3,5-triazine-2,4-diamine
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| Structure |
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| Formula |
C24H28N8O
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| Molecular Weight |
444.543
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)c1nc(N)nc(NCCc2c[nH]c3ccccc23)n1
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| InChI |
InChI=1S/C24H28N8O/c1-33-21-9-5-4-8-20(21)31-12-14-32(15-13-31)24-29-22(25)28-23(30-24)26-11-10-17-16-27-19-7-3-2-6-18(17)19/h2-9,16,27H,10-15H2,1H3,(H3,25,26,28,29,30)
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| InChIKey |
UYTFDTBLSZRMME-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