General Information of the Compound
| Compound ID |
CP0462036
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| Compound Name |
N-[3-[4-(5-chloro-2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C27H28ClN3O2S
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| Molecular Weight |
494.06
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| Canonical SMILES |
Cc1[nH]c2ccc(Cl)cc2c1C1=CCN(CCCNS(=O)(=O)c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C27H28ClN3O2S/c1-19-27(25-18-23(28)8-10-26(25)30-19)21-11-15-31(16-12-21)14-4-13-29-34(32,33)24-9-7-20-5-2-3-6-22(20)17-24/h2-3,5-11,17-18,29-30H,4,12-16H2,1H3
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| InChIKey |
PRHPYOCEQODHTD-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