General Information of the Compound
| Compound ID |
CP0392013
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| Compound Name |
[4-[4-(2,4-dichloro-3-methylphenoxy)piperidin-1-yl]piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
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| Structure |
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| Formula |
C25H30Cl2N2O4S
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| Molecular Weight |
525.498
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| Canonical SMILES |
Cc1c(Cl)ccc(OC2CCN(CC2)C2CCN(CC2)C(=O)c2cccc(c2)S(C)(=O)=O)c1Cl
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| InChI |
InChI=1S/C25H30Cl2N2O4S/c1-17-22(26)6-7-23(24(17)27)33-20-10-14-28(15-11-20)19-8-12-29(13-9-19)25(30)18-4-3-5-21(16-18)34(2,31)32/h3-7,16,19-20H,8-15H2,1-2H3
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| InChIKey |
ATPAZLJUTRYFNR-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