General Information of the Compound
| Compound ID |
CP0747112
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| Compound Name |
N-(3-chloro-4-morpholinophenyl)-5-nitrofuran-2-carboxamide
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| Structure |
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| Formula |
C15H14ClN3O5
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| Molecular Weight |
351.746
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| Canonical SMILES |
O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1
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| InChI |
InChI=1S/C15H14ClN3O5/c16-11-9-10(1-2-12(11)18-5-7-23-8-6-18)17-15(20)13-3-4-14(24-13)19(21)22/h1-4,9H,5-8H2,(H,17,20)
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| InChIKey |
WBHLXDZDOUCOGT-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3