General Information of the Compound
| Compound ID |
CP0440797
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| Compound Name |
4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-N-[2-(dimethylamino)phenyl]sulfonylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C25H32Cl2N4O4S
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| Molecular Weight |
555.528
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| Canonical SMILES |
CN(C)c1ccccc1S(=O)(=O)NC(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C25H32Cl2N4O4S/c1-29(2)23-5-3-4-6-24(23)36(33,34)28-25(32)31-13-9-18(10-14-31)30-15-11-19(12-16-30)35-20-7-8-21(26)22(27)17-20/h3-8,17-19H,9-16H2,1-2H3,(H,28,32)
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| InChIKey |
GSQPHXFZLYFUQD-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: PT01215, C-C chemokine receptor type 3
Protein ID: PT01206, Histamine H1 receptor