General Information of the Compound
| Compound ID |
CP0403510
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| Compound Name |
N-(cyclopropylmethyl)-4-fluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C29H33FN2O3S
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| Molecular Weight |
508.659
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N(CC1CC1)C1CCN(CCOc2ccccc2-c2ccccc2)CC1
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| InChI |
InChI=1S/C29H33FN2O3S/c30-25-12-14-27(15-13-25)36(33,34)32(22-23-10-11-23)26-16-18-31(19-17-26)20-21-35-29-9-5-4-8-28(29)24-6-2-1-3-7-24/h1-9,12-15,23,26H,10-11,16-22H2
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| InChIKey |
XIPPMBYEJXCYMK-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor