General Information of the Compound
| Compound ID |
CP0466394
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| Compound Name |
3-cyclopropyl-3-[3-[[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C37H47N3O5
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| Molecular Weight |
613.799
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| Canonical SMILES |
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C37H47N3O5/c1-25-8-6-11-34(38-25)40(24-37(2,3)4)36(43)31-15-14-29(44-5)21-33(31)39-18-16-26(17-19-39)23-45-30-10-7-9-28(20-30)32(22-35(41)42)27-12-13-27/h6-11,14-15,20-21,26-27,32H,12-13,16-19,22-24H2,1-5H3,(H,41,42)
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| InChIKey |
WFJWSAXYKOABMS-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