General Information of the Compound
| Compound ID |
CP0573504
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| Compound Name |
[4-(2-methoxy-2-oxoethyl)phenyl] 5-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-1-ethylpyrrole-2-carboxylate
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| Structure |
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| Formula |
C34H43NO6
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| Molecular Weight |
561.719
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1)C(=O)Oc1ccc(CC(=O)OC)cc1
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| InChI |
InChI=1S/C34H43NO6/c1-9-34(10-2,25-14-18-28(23(4)20-25)40-22-30(36)33(5,6)7)29-19-17-27(35(29)11-3)32(38)41-26-15-12-24(13-16-26)21-31(37)39-8/h12-20H,9-11,21-22H2,1-8H3
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| InChIKey |
WJMAQVZUIRTCFF-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