General Information of the Compound
| Compound ID |
CP0389009
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| Compound Name |
1-(benzenesulfonyl)-4-[4-[4-(2-propan-2-yloxyphenoxy)butyl]piperazin-1-yl]indole
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| Structure |
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| Formula |
C31H37N3O4S
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| Molecular Weight |
547.721
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| Canonical SMILES |
CC(C)Oc1ccccc1OCCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C31H37N3O4S/c1-25(2)38-31-16-7-6-15-30(31)37-24-9-8-18-32-20-22-33(23-21-32)28-13-10-14-29-27(28)17-19-34(29)39(35,36)26-11-4-3-5-12-26/h3-7,10-17,19,25H,8-9,18,20-24H2,1-2H3
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| InChIKey |
ATBHOQNWZSXLBZ-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