General Information of the Compound
| Compound ID |
CP0488653
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| Compound Name |
1-(benzenesulfonyl)-4-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]indole
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| Structure |
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| Formula |
C27H28FN3O3S
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| Molecular Weight |
493.604
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| Canonical SMILES |
Fc1ccc(OCCCN2CCN(CC2)c2cccc3n(ccc23)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C27H28FN3O3S/c28-22-10-12-23(13-11-22)34-21-5-15-29-17-19-30(20-18-29)26-8-4-9-27-25(26)14-16-31(27)35(32,33)24-6-2-1-3-7-24/h1-4,6-14,16H,5,15,17-21H2
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| InChIKey |
CCHZUMWJDOCSOK-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