General Information of the Compound
| Compound ID |
CP0414533
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| Compound Name |
3-[6-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]hexyl]-1,3-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one
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| Structure |
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| Formula |
C27H33N5OS
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| Molecular Weight |
475.662
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| Canonical SMILES |
O=c1n(CCCCCCN2CCN(CC2)c2nsc3ccccc23)c2cccc3CCCn1c23
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| InChI |
InChI=1S/C27H33N5OS/c33-27-31(23-12-7-9-21-10-8-16-32(27)25(21)23)15-6-2-1-5-14-29-17-19-30(20-18-29)26-22-11-3-4-13-24(22)34-28-26/h3-4,7,9,11-13H,1-2,5-6,8,10,14-20H2
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| InChIKey |
LXNQXNYRRQSMER-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