General Information of the Compound
| Compound ID |
CP0488217
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| Compound Name |
2-[4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]butoxy]benzamide
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| Structure |
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| Formula |
C29H32N4O4S
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| Molecular Weight |
532.666
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| Canonical SMILES |
NC(=O)c1ccccc1OCCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H32N4O4S/c30-29(34)25-11-4-5-14-28(25)37-22-7-6-16-31-18-20-32(21-19-31)26-12-8-13-27-24(26)15-17-33(27)38(35,36)23-9-2-1-3-10-23/h1-5,8-15,17H,6-7,16,18-22H2,(H2,30,34)
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| InChIKey |
UQFXXDIPHBBVJR-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT01005, D(2) dopamine receptor