General Information of the Compound
| Compound ID |
CP0893594
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| Compound Name |
3-{4-[4-(4-Chlorophenyl)-piperazin-1-ylmethyl]-piperidine-1-sulfonyl}-quinoline hydrochloride
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| Structure |
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| Formula |
C25H30Cl2N4O2S
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| Molecular Weight |
521.514
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| Canonical SMILES |
Cl.O=S(=O)(c1cnc2ccccc2c1)N1CCC(CN2CCN(c3ccc(Cl)cc3)CC2)CC1
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| InChI |
InChI=1S/C25H29ClN4O2S.ClH/c26-22-5-7-23(8-6-22)29-15-13-28(14-16-29)19-20-9-11-30(12-10-20)33(31,32)24-17-21-3-1-2-4-25(21)27-18-24;/h1-8,17-18,20H,9-16,19H2;1H
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| InChIKey |
QIXBEGLTICIIGN-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: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7