General Information of the Compound
| Compound ID |
CP0563069
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| Compound Name |
3-cyclopropyl-3-[3-[[1-[2-[2,2-dimethylpropyl(pyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]propanoic acid
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| Structure |
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| Formula |
C36H45N3O5
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| Molecular Weight |
599.772
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| Canonical SMILES |
COc1ccc(C(=O)N(CC(C)(C)C)c2ccccn2)c(c1)N1CCC(COc2cccc(c2)C(CC(O)=O)C2CC2)CC1
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| InChI |
InChI=1S/C36H45N3O5/c1-36(2,3)24-39(33-10-5-6-17-37-33)35(42)30-14-13-28(43-4)21-32(30)38-18-15-25(16-19-38)23-44-29-9-7-8-27(20-29)31(22-34(40)41)26-11-12-26/h5-10,13-14,17,20-21,25-26,31H,11-12,15-16,18-19,22-24H2,1-4H3,(H,40,41)
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| InChIKey |
IOCQKRUERKSHLQ-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