General Information of the Compound
| Compound ID |
CP0497110
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| Compound Name |
N-(cyclohexylmethyl)-N-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C30H37F3N4O2S
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| Molecular Weight |
574.713
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
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| InChI |
InChI=1S/C30H37F3N4O2S/c31-30(32,33)26-12-5-13-27(22-26)36-20-18-35(19-21-36)16-7-17-37(23-24-8-2-1-3-9-24)40(38,39)28-14-4-10-25-11-6-15-34-29(25)28/h4-6,10-15,22,24H,1-3,7-9,16-21,23H2
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| InChIKey |
JDDSTHHDIDUGFN-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: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00941, 5-hydroxytryptamine receptor 7