General Information of the Compound
| Compound ID |
CP0524342
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| Compound Name |
2-[2-(3-bromophenylamino)-3,4-dioxocyclobut-1-enylamino]-4-chlorobenzoic acid
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| Structure |
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| Formula |
C17H10BrClN2O4
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| Molecular Weight |
421.634
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| Canonical SMILES |
OC(=O)c1ccc(Cl)cc1Nc1c(Nc2cccc(Br)c2)c(=O)c1=O
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| InChI |
InChI=1S/C17H10BrClN2O4/c18-8-2-1-3-10(6-8)20-13-14(16(23)15(13)22)21-12-7-9(19)4-5-11(12)17(24)25/h1-7,20-21H,(H,24,25)
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| InChIKey |
QYFRNJPTCNVDDB-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