General Information of the Compound
| Compound ID |
CP0557945
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| Compound Name |
3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-3-(3-nitrophenyl)propanoic acid
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| Structure |
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| Formula |
C19H22N2O6
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| Molecular Weight |
374.393
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| Canonical SMILES |
Cc1oc(cc1C(=O)NC(CC(O)=O)c1cccc(c1)[N+]([O-])=O)C(C)(C)C
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| InChI |
InChI=1S/C19H22N2O6/c1-11-14(9-16(27-11)19(2,3)4)18(24)20-15(10-17(22)23)12-6-5-7-13(8-12)21(25)26/h5-9,15H,10H2,1-4H3,(H,20,24)(H,22,23)
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| InChIKey |
CXLWBDWOXGMOJR-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