General Information of the Compound
| Compound ID |
CP0526737
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| Compound Name |
3-[[1-ethyl-5-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]pyrrole-2-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H42N2O5
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| Molecular Weight |
486.653
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| Canonical SMILES |
CCn1c(ccc1C(CC)(CC)c1ccc(OCC(O)C(C)(C)C)c(C)c1)C(=O)NCCC(O)=O
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| InChI |
InChI=1S/C28H42N2O5/c1-8-28(9-2,20-11-13-22(19(4)17-20)35-18-24(31)27(5,6)7)23-14-12-21(30(23)10-3)26(34)29-16-15-25(32)33/h11-14,17,24,31H,8-10,15-16,18H2,1-7H3,(H,29,34)(H,32,33)
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| InChIKey |
RIBJFBSMBMHIBQ-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