General Information of the Compound
| Compound ID |
CP0466396
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| Compound Name |
2-[3-[3-[[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxyphenyl]piperidin-4-yl]methoxy]phenyl]oxetan-3-yl]acetic acid
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| Structure |
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| Formula |
C36H45N3O6
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| Molecular Weight |
615.771
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| Canonical SMILES |
COc1ccc(C(=O)N(CC(C)(C)C)c2cccc(C)n2)c(c1)N1CCC(COc2cccc(c2)C2(CC(O)=O)COC2)CC1
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| InChI |
InChI=1S/C36H45N3O6/c1-25-8-6-11-32(37-25)39(22-35(2,3)4)34(42)30-13-12-28(43-5)19-31(30)38-16-14-26(15-17-38)21-45-29-10-7-9-27(18-29)36(20-33(40)41)23-44-24-36/h6-13,18-19,26H,14-17,20-24H2,1-5H3,(H,40,41)
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| InChIKey |
IVYMTCSXVZUXCE-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