General Information of the Compound
| Compound ID |
CP0359215
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| Compound Name |
2-[(2R)-2-[[4-(3,4-dichlorophenoxy)piperidin-1-yl]methyl]morpholin-4-yl]-2-phenylacetic acid
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| Structure |
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| Formula |
C24H28Cl2N2O4
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| Molecular Weight |
479.404
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| Canonical SMILES |
OC(=O)C(N1CCO[C@H](CN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)C1)c1ccccc1
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| InChI |
InChI=1S/C24H28Cl2N2O4/c25-21-7-6-19(14-22(21)26)32-18-8-10-27(11-9-18)15-20-16-28(12-13-31-20)23(24(29)30)17-4-2-1-3-5-17/h1-7,14,18,20,23H,8-13,15-16H2,(H,29,30)/t20-,23?/m1/s1
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| InChIKey |
DCPIUFZZSDRFTC-PPUHSXQSSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2