General Information of the Compound
| Compound ID |
CP0480724
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| Compound Name |
[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
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| Structure |
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| Formula |
C24H28Cl2N2O4S
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| Molecular Weight |
511.471
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| Canonical SMILES |
CS(=O)(=O)c1cccc(c1)C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H28Cl2N2O4S/c1-33(30,31)21-4-2-3-17(15-21)24(29)28-11-7-18(8-12-28)27-13-9-19(10-14-27)32-20-5-6-22(25)23(26)16-20/h2-6,15-16,18-19H,7-14H2,1H3
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| InChIKey |
UEMKNKCKJCNUSX-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