General Information of the Compound
| Compound ID |
CP0472938
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| Compound Name |
N-[2-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
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| Structure |
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| Formula |
C22H24FN3O2S
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| Molecular Weight |
413.518
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| Canonical SMILES |
Cc1cccc(c1)S(=O)(=O)NCCN1CCC(=CC1)c1c[nH]c2ccc(F)cc12
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| InChI |
InChI=1S/C22H24FN3O2S/c1-16-3-2-4-19(13-16)29(27,28)25-9-12-26-10-7-17(8-11-26)21-15-24-22-6-5-18(23)14-20(21)22/h2-7,13-15,24-25H,8-12H2,1H3
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| InChIKey |
PPJOGRKQEBFCCR-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00871, Sodium-dependent serotonin transporter