General Information of the Compound
| Compound ID |
CP0569637
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| Compound Name |
2-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 |
C18H28N8O
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| Molecular Weight |
372.477
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCNc2nc(N)nc(N)n2)CC1
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| InChI |
InChI=1S/C18H28N8O/c1-27-15-7-3-2-6-14(15)26-12-10-25(11-13-26)9-5-4-8-21-18-23-16(19)22-17(20)24-18/h2-3,6-7H,4-5,8-13H2,1H3,(H5,19,20,21,22,23,24)
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| InChIKey |
IBPKFKZAYBVENB-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