General Information of the Compound
| Compound ID |
CP0403561
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| Compound Name |
ethyl 2-[[1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]-methylamino]acetate
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| Structure |
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| Formula |
C30H46N2O5
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| Molecular Weight |
514.707
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| Canonical SMILES |
CCOC(=O)CN(C)C(=O)c1ccc(n1CC)C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C30H46N2O5/c1-10-30(11-2,22-14-16-24(21(5)18-22)37-20-26(33)29(6,7)8)25-17-15-23(32(25)12-3)28(35)31(9)19-27(34)36-13-4/h14-18,26,33H,10-13,19-20H2,1-9H3
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| InChIKey |
HRRSCABSNWYWJU-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