General Information of the Compound
| Compound ID |
CP0460458
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| Compound Name |
3-[(4Z)-4-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
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| Structure |
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| Formula |
C22H14BrN3O6
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| Molecular Weight |
496.273
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| Canonical SMILES |
CC1=NN(C(=O)\C1=C/c1ccc(o1)-c1ccc(cc1Br)[N+]([O-])=O)c1cccc(c1)C(O)=O
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| InChI |
InChI=1S/C22H14BrN3O6/c1-12-18(21(27)25(24-12)14-4-2-3-13(9-14)22(28)29)11-16-6-8-20(32-16)17-7-5-15(26(30)31)10-19(17)23/h2-11H,1H3,(H,28,29)/b18-11-
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| InChIKey |
PULXZJYQXYSHPR-WQRHYEAKSA-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