General Information of the Compound
| Compound ID |
CP0408330
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| Compound Name |
1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-methyl-N-prop-2-enylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C29H44N2O3
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| Molecular Weight |
468.682
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)N(C)CC=C
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| InChI |
InChI=1S/C29H44N2O3/c1-10-18-30(9)27(33)23-15-17-25(31(23)13-4)29(11-2,12-3)22-14-16-24(21(5)19-22)34-20-26(32)28(6,7)8/h10,14-17,19,26,32H,1,11-13,18,20H2,2-9H3
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| InChIKey |
WSUWBVIBKSZOHR-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