General Information of the Compound
| Compound ID |
CP0433627
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| Compound Name |
5-chloro-N-[(3S)-1-[2-(2-phenylphenoxy)ethyl]pyrrolidin-3-yl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C22H23ClN2O3S2
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| Molecular Weight |
463.024
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| Canonical SMILES |
Clc1ccc(s1)S(=O)(=O)N[C@H]1CCN(CCOc2ccccc2-c2ccccc2)C1
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| InChI |
InChI=1S/C22H23ClN2O3S2/c23-21-10-11-22(29-21)30(26,27)24-18-12-13-25(16-18)14-15-28-20-9-5-4-8-19(20)17-6-2-1-3-7-17/h1-11,18,24H,12-16H2/t18-/m0/s1
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| InChIKey |
ZGPMTEINYPKUKN-SFHVURJKSA-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