General Information of the Compound
| Compound ID |
CP0438558
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| Compound Name |
1-[2-(4-Benzenesulfonyl-piperidin-1-yl)-ethyl]-imidazolidin-2-one
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| Structure |
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| Formula |
C16H23N3O3S
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| Molecular Weight |
337.445
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| Canonical SMILES |
O=C1NCCN1CCN1CCC(CC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H23N3O3S/c20-16-17-8-11-19(16)13-12-18-9-6-15(7-10-18)23(21,22)14-4-2-1-3-5-14/h1-5,15H,6-13H2,(H,17,20)
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| InChIKey |
CCFCIFUXOWLDJD-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor