General Information of the Compound
| Compound ID |
CP0526177
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| Compound Name |
3-[[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-methylpyrrole-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C27H40N2O5
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| Molecular Weight |
472.626
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| Canonical SMILES |
CCC(CC)(c1ccc(C(=O)NCCC(O)=O)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C27H40N2O5/c1-8-27(9-2,22-13-11-20(29(22)7)25(33)28-15-14-24(31)32)19-10-12-21(18(3)16-19)34-17-23(30)26(4,5)6/h10-13,16,23,30H,8-9,14-15,17H2,1-7H3,(H,28,33)(H,31,32)
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| InChIKey |
ROASENATTDVKBE-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