General Information of the Compound
| Compound ID |
CP0466395
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| Compound Name |
3-[3-[[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]-3-methoxypropanoic acid
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| Structure |
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| Formula |
C35H45N3O6
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| Molecular Weight |
603.76
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| Canonical SMILES |
COC(CC(O)=O)c1cccc(OCC2CCN(CC2)c2cc(OC)ccc2C(=O)N(CC(C)(C)C)c2cccc(C)n2)c1
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| InChI |
InChI=1S/C35H45N3O6/c1-24-9-7-12-32(36-24)38(23-35(2,3)4)34(41)29-14-13-27(42-5)20-30(29)37-17-15-25(16-18-37)22-44-28-11-8-10-26(19-28)31(43-6)21-33(39)40/h7-14,19-20,25,31H,15-18,21-23H2,1-6H3,(H,39,40)
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| InChIKey |
CBKGOXQXEKHBGC-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