General Information of the Compound
| Compound ID |
CP0412625
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| Compound Name |
2-[3-[4-[1-(benzenesulfonyl)indol-3-yl]-3,6-dihydro-2H-pyridin-1-yl]propoxy]benzamide
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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 |
NC(=O)c1ccccc1OCCCN1CCC(=CC1)c1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C29H29N3O4S/c30-29(33)25-12-5-7-14-28(25)36-20-8-17-31-18-15-22(16-19-31)26-21-32(27-13-6-4-11-24(26)27)37(34,35)23-9-2-1-3-10-23/h1-7,9-15,21H,8,16-20H2,(H2,30,33)
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| InChIKey |
GUZVTLAJXNRRJR-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