General Information of the Compound
| Compound ID |
CP0513529
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| Compound Name |
N-[3-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-3-fluorobenzenesulfonamide
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| Structure |
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| Formula |
C22H23ClFN3O2S
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| Molecular Weight |
447.963
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| Canonical SMILES |
Fc1cccc(c1)S(=O)(=O)NCCCN1CCC(=CC1)c1c[nH]c2ccc(Cl)cc12
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| InChI |
InChI=1S/C22H23ClFN3O2S/c23-17-5-6-22-20(13-17)21(15-25-22)16-7-11-27(12-8-16)10-2-9-26-30(28,29)19-4-1-3-18(24)14-19/h1,3-7,13-15,25-26H,2,8-12H2
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| InChIKey |
COYPHMJWMCMIIQ-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