General Information of the Compound
| Compound ID |
CP0530031
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| Compound Name |
(1R,2S,6R,7S)-4-[6-[4-(1,2-benzothiazol-3-yl)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 |
C26H34N4O2S
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| Molecular Weight |
466.651
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| Canonical SMILES |
O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1CCCCCCN1CCN(CC1)c1nsc2ccccc12
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| InChI |
InChI=1S/C26H34N4O2S/c31-25-22-18-9-10-19(17-18)23(22)26(32)30(25)12-6-2-1-5-11-28-13-15-29(16-14-28)24-20-7-3-4-8-21(20)33-27-24/h3-4,7-8,18-19,22-23H,1-2,5-6,9-17H2/t18-,19+,22+,23-
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| InChIKey |
UJZNKWHHQIIKBC-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