General Information of the Compound
| Compound ID |
CP0429443
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| Compound Name |
1-(benzenesulfonyl)-4-[4-(3-phenoxypropyl)piperazin-1-yl]indole
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| Structure |
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| Formula |
C27H29N3O3S
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| Molecular Weight |
475.614
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCOc2ccccc2)CC1
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| InChI |
InChI=1S/C27H29N3O3S/c31-34(32,24-11-5-2-6-12-24)30-17-15-25-26(13-7-14-27(25)30)29-20-18-28(19-21-29)16-8-22-33-23-9-3-1-4-10-23/h1-7,9-15,17H,8,16,18-22H2
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| InChIKey |
VESLKGGUOOCKRO-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