General Information of the Compound
| Compound ID |
CP0444972
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| Compound Name |
3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-3-(4-propan-2-ylphenyl)propanoic acid
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| Structure |
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| Formula |
C22H29NO4
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| Molecular Weight |
371.477
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| Canonical SMILES |
CC(C)c1ccc(cc1)C(CC(O)=O)NC(=O)c1cc(oc1C)C(C)(C)C
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| InChI |
InChI=1S/C22H29NO4/c1-13(2)15-7-9-16(10-8-15)18(12-20(24)25)23-21(26)17-11-19(22(4,5)6)27-14(17)3/h7-11,13,18H,12H2,1-6H3,(H,23,26)(H,24,25)
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| InChIKey |
FXCLQYZAEAKOQB-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