General Information of the Compound
| Compound ID |
CP0430836
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| Compound Name |
N-(cyclohexylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C30H40N4O3S
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| Molecular Weight |
536.742
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCN(CC2CCCCC2)S(=O)(=O)c2cccc3cccnc23)CC1
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| InChI |
InChI=1S/C30H40N4O3S/c1-37-28-15-6-5-14-27(28)33-22-20-32(21-23-33)18-9-19-34(24-25-10-3-2-4-11-25)38(35,36)29-16-7-12-26-13-8-17-31-30(26)29/h5-8,12-17,25H,2-4,9-11,18-24H2,1H3
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| InChIKey |
AGDOTHDBWYNHAX-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