General Information of the Compound
| Compound ID |
CP0525459
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| Compound Name |
2-[[5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-1-methylpyrrole-2-carbonyl]amino]acetic acid
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| Structure |
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| Formula |
C26H38N2O5
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| Molecular Weight |
458.599
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| Canonical SMILES |
CCC(CC)(c1ccc(C(=O)NCC(O)=O)n1C)c1ccc(OCC(O)C(C)(C)C)c(C)c1
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| InChI |
InChI=1S/C26H38N2O5/c1-8-26(9-2,21-13-11-19(28(21)7)24(32)27-15-23(30)31)18-10-12-20(17(3)14-18)33-16-22(29)25(4,5)6/h10-14,22,29H,8-9,15-16H2,1-7H3,(H,27,32)(H,30,31)
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| InChIKey |
GTIOZGGNIXMQJG-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