General Information of the Compound
| Compound ID |
CP0473055
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| Compound Name |
(1R,2S,6R,7S)-4-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
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| Structure |
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| Formula |
C26H37N3O3
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| Molecular Weight |
439.6
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCCCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)CC1
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| InChI |
InChI=1S/C26H37N3O3/c1-32-22-9-5-4-8-21(22)28-16-14-27(15-17-28)12-6-2-3-7-13-29-25(30)23-19-10-11-20(18-19)24(23)26(29)31/h4-5,8-9,19-20,23-24H,2-3,6-7,10-18H2,1H3/t19-,20+,23+,24-
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| InChIKey |
XACKNAOULJGCTD-XZOTUCIWSA-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