General Information of the Compound
| Compound ID |
CP0475299
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| Compound Name |
[4-(2-methoxy-2-oxoethyl)phenyl] 1-ethyl-5-[3-[4-(3-ethyl-3-hydroxypentoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carboxylate
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| Structure |
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| Formula |
C35H47NO6
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| Molecular Weight |
577.762
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCCC(O)(CC)CC)c(C)c1)C(=O)Oc1ccc(CC(=O)OC)cc1
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| InChI |
InChI=1S/C35H47NO6/c1-8-34(39,9-2)21-22-41-30-19-15-27(23-25(30)6)35(10-3,11-4)31-20-18-29(36(31)12-5)33(38)42-28-16-13-26(14-17-28)24-32(37)40-7/h13-20,23,39H,8-12,21-22,24H2,1-7H3
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| InChIKey |
JLYNBRNUBCXWCC-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