General Information of the Compound
| Compound ID |
CP0490402
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| Compound Name |
3-(5-chloro-2-hydroxyphenylamino)-4-(phenylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C16H11ClN2O3
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| Molecular Weight |
314.728
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| Canonical SMILES |
Oc1ccc(Cl)cc1Nc1c(Nc2ccccc2)c(=O)c1=O
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| InChI |
InChI=1S/C16H11ClN2O3/c17-9-6-7-12(20)11(8-9)19-14-13(15(21)16(14)22)18-10-4-2-1-3-5-10/h1-8,18-20H
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| InChIKey |
ICRWPPNCIMCOOY-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