General Information of the Compound
| Compound ID |
CP0530032
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| Compound Name |
(1S,2R,6S,7R)-4-[6-[4-(3-chlorophenyl)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 |
C25H34ClN3O2
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| Molecular Weight |
444.019
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CCCCCCN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)CC1
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| InChI |
InChI=1S/C25H34ClN3O2/c26-20-6-5-7-21(17-20)28-14-12-27(13-15-28)10-3-1-2-4-11-29-24(30)22-18-8-9-19(16-18)23(22)25(29)31/h5-7,17-19,22-23H,1-4,8-16H2/t18-,19+,22+,23-
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| InChIKey |
IBEYKGQZOVQASZ-ZIIYYELXSA-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