General Information of the Compound
| Compound ID |
CP0481554
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| Compound Name |
5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-N-[(2S)-1-hydroxypropan-2-yl]-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)N[C@@H](C)CO)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C27H42N2O4/c1-9-27(10-2,23-14-12-21(29(23)8)25(32)28-19(4)16-30)20-11-13-22(18(3)15-20)33-17-24(31)26(5,6)7/h11-15,19,24,30-31H,9-10,16-17H2,1-8H3,(H,28,32)/t19-,24?/m0/s1
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| InChIKey |
CHZUSSNZJIMELS-XGLRFROISA-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