General Information of the Compound
| Compound ID |
CP0546418
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| Compound Name |
6-butyl-N-[2-(4-chlorophenyl)ethyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-N-methyl-2-oxo-1H-pyridine-3-carboxamide
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| Structure |
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| Formula |
C27H31ClN2O5
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| Molecular Weight |
499.007
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| Canonical SMILES |
CCCCc1[nH]c(=O)c(C(=O)N(C)CCc2ccc(Cl)cc2)c(O)c1-c1c(OC)cccc1OC
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| InChI |
InChI=1S/C27H31ClN2O5/c1-5-6-8-19-22(23-20(34-3)9-7-10-21(23)35-4)25(31)24(26(32)29-19)27(33)30(2)16-15-17-11-13-18(28)14-12-17/h7,9-14H,5-6,8,15-16H2,1-4H3,(H2,29,31,32)
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| InChIKey |
HQNPYEHFAWFXRM-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: PT05078, Apelin receptor
Protein ID: PT06297, Apelin receptor