General Information of the Compound
| Compound ID |
CP0462178
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| Compound Name |
5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-(3-hydroxypropyl)-1-methylpyrrole-2-carboxamide
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| Structure |
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| Formula |
C27H42N2O4
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| Molecular Weight |
458.643
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| Canonical SMILES |
CCC(CC)(c1ccc(C(=O)NCCCO)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C27H42N2O4/c1-8-27(9-2,23-14-12-21(29(23)7)25(32)28-15-10-16-30)20-11-13-22(19(3)17-20)33-18-24(31)26(4,5)6/h11-14,17,24,30-31H,8-10,15-16,18H2,1-7H3,(H,28,32)
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| InChIKey |
GYVQSOQPIRRLMC-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