General Information of the Compound
| Compound ID |
CP0542758
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| Compound Name |
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3,5-triazine-2,4,6-triamine
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| Structure |
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| Formula |
C28H37N9O
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| Molecular Weight |
515.666
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNc2nc(N)nc(NCCc3c[nH]c4ccccc34)n2)CC1
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| InChI |
InChI=1S/C28H37N9O/c1-38-25-11-5-4-10-24(25)37-18-16-36(17-19-37)15-7-6-13-30-27-33-26(29)34-28(35-27)31-14-12-21-20-32-23-9-3-2-8-22(21)23/h2-5,8-11,20,32H,6-7,12-19H2,1H3,(H4,29,30,31,33,34,35)
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| InChIKey |
QYJKOXINDLTROG-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