General Information of the Compound
| Compound ID |
CP0371721
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| Compound Name |
N-(cyclohexylmethyl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C29H37FN4O2S
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| Molecular Weight |
524.706
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| Canonical SMILES |
Fc1ccc(cc1)N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
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| InChI |
InChI=1S/C29H37FN4O2S/c30-26-12-14-27(15-13-26)33-21-19-32(20-22-33)17-6-18-34(23-24-7-2-1-3-8-24)37(35,36)28-11-4-9-25-10-5-16-31-29(25)28/h4-5,9-16,24H,1-3,6-8,17-23H2
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| InChIKey |
ZKUHCHZEFSTLSS-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