General Information of the Compound
| Compound ID |
CP0371764
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| Compound Name |
3-(5-chloro-2-hydroxy-4-nitrophenylamino)-4-(phenylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C16H10ClN3O5
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| Molecular Weight |
359.725
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| Canonical SMILES |
Oc1cc(c(Cl)cc1Nc1c(Nc2ccccc2)c(=O)c1=O)[N+]([O-])=O
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| InChI |
InChI=1S/C16H10ClN3O5/c17-9-6-10(12(21)7-11(9)20(24)25)19-14-13(15(22)16(14)23)18-8-4-2-1-3-5-8/h1-7,18-19,21H
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| InChIKey |
LHKCPRHYTIEXOS-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