General Information of the Compound
| Compound ID |
CP0515347
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| Compound Name |
3-[2-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidine-1-carbonyl]anilino]propanoic acid
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| Structure |
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| Formula |
C26H31Cl2N3O4
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| Molecular Weight |
520.457
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| Canonical SMILES |
OC(=O)CCNc1ccccc1C(=O)N1CCC(CC1)N1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C26H31Cl2N3O4/c27-22-6-5-20(17-23(22)28)35-19-10-15-30(16-11-19)18-8-13-31(14-9-18)26(34)21-3-1-2-4-24(21)29-12-7-25(32)33/h1-6,17-19,29H,7-16H2,(H,32,33)
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| InChIKey |
VDNHGXHYXNDCOW-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