General Information of the Compound
| Compound ID |
CP0456345
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| Compound Name |
3-[(5-tert-butyl-2-methylfuran-3-carbonyl)amino]-3-(3,4-dichlorophenyl)propanoic acid
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| Structure |
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| Formula |
C19H21Cl2NO4
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| Molecular Weight |
398.286
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| Canonical SMILES |
Cc1oc(cc1C(=O)NC(CC(O)=O)c1ccc(Cl)c(Cl)c1)C(C)(C)C
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| InChI |
InChI=1S/C19H21Cl2NO4/c1-10-12(8-16(26-10)19(2,3)4)18(25)22-15(9-17(23)24)11-5-6-13(20)14(21)7-11/h5-8,15H,9H2,1-4H3,(H,22,25)(H,23,24)
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| InChIKey |
KFZQDDRSBVXHPH-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