General Information of the Compound
| Compound ID |
CP0430833
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| Compound Name |
N-(cyclohexylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]quinoline-8-sulfonamide
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| Structure |
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| Formula |
C29H38N4O2S
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| Molecular Weight |
506.716
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| Canonical SMILES |
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CCCCC1)c1cccc2cccnc12
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| InChI |
InChI=1S/C29H38N4O2S/c34-36(35,28-16-7-12-26-13-8-17-30-29(26)28)33(24-25-10-3-1-4-11-25)19-9-18-31-20-22-32(23-21-31)27-14-5-2-6-15-27/h2,5-8,12-17,25H,1,3-4,9-11,18-24H2
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| InChIKey |
POKYWZWHSFVCNV-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