General Information of the Compound
| Compound ID |
CP0462025
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| Compound Name |
1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-methyl-N-phenylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C32H44N2O3
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| Molecular Weight |
504.715
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)c1ccccc1
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| InChI |
InChI=1S/C32H44N2O3/c1-9-32(10-2,24-17-19-27(23(4)21-24)37-22-29(35)31(5,6)7)28-20-18-26(34(28)11-3)30(36)33(8)25-15-13-12-14-16-25/h12-21,29,35H,9-11,22H2,1-8H3
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| InChIKey |
XGYHARMEUQCIIT-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