General Information of the Compound
| Compound ID |
CP0371727
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| Compound Name |
N-(cyclopropylmethyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C27H34N4O3S
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| Molecular Weight |
494.661
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| Canonical SMILES |
COc1ccccc1N1CCN(CCCN(CC2CC2)S(=O)(=O)c2cccc3cccnc23)CC1
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| InChI |
InChI=1S/C27H34N4O3S/c1-34-25-10-3-2-9-24(25)30-19-17-29(18-20-30)15-6-16-31(21-22-12-13-22)35(32,33)26-11-4-7-23-8-5-14-28-27(23)26/h2-5,7-11,14,22H,6,12-13,15-21H2,1H3
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| InChIKey |
BUZRERKWTGJPRW-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