General Information of the Compound
| Compound ID |
CP0367059
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| Compound Name |
2a-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
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| Structure |
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| Formula |
C26H33N3O2
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| Molecular Weight |
419.569
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
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| InChI |
InChI=1S/C26H33N3O2/c1-31-23-12-3-2-11-22(23)29-18-16-28(17-19-29)15-5-4-13-26-14-7-9-20-8-6-10-21(24(20)26)27-25(26)30/h2-3,6,8,10-12H,4-5,7,9,13-19H2,1H3,(H,27,30)
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| InChIKey |
MUBNQYJQCBLICS-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: PT00941, 5-hydroxytryptamine receptor 7