General Information of the Compound
| Compound ID |
CP0517445
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| Compound Name |
methyl 3-[[5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-methylpyrrole-2-carbonyl]amino]propanoate
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| Structure |
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| Formula |
C28H40N2O5
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| Molecular Weight |
484.637
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| Canonical SMILES |
CCC(CC)(c1ccc(C(=O)NCCC(=O)OC)n1C)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C28H40N2O5/c1-9-28(10-2,20-11-13-22(19(3)17-20)35-18-24(31)27(4,5)6)23-14-12-21(30(23)7)26(33)29-16-15-25(32)34-8/h11-14,17H,9-10,15-16,18H2,1-8H3,(H,29,33)
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| InChIKey |
QDEYHSAXPDVVEN-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