General Information of the Compound
| Compound ID |
CP0523325
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| Compound Name |
1-(benzenesulfonyl)-4-[4-[3-(1-benzofuran-6-yloxy)propyl]piperazin-1-yl]indole
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| Structure |
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| Formula |
C29H29N3O4S
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| Molecular Weight |
515.635
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCOc2ccc3ccoc3c2)CC1
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| InChI |
InChI=1S/C29H29N3O4S/c33-37(34,25-6-2-1-3-7-25)32-15-12-26-27(8-4-9-28(26)32)31-18-16-30(17-19-31)14-5-20-35-24-11-10-23-13-21-36-29(23)22-24/h1-4,6-13,15,21-22H,5,14,16-20H2
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| InChIKey |
VFHUXBVWZQEOJG-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