General Information of the Compound
| Compound ID |
CP0853168
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| Compound Name |
3-(2-hydroxy-4-nitrophenylamino)-4-(phenylamino)cyclobut-3-ene-1,2-dione
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| Formula |
C16H11N3O5
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| Molecular Weight |
325.28
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| Canonical SMILES |
O=c1c(O)c(Nc2ccc([N+](=O)[O-])cc2O)/c1=N/c1ccccc1
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| InChI |
InChI=1S/C16H11N3O5/c20-12-8-10(19(23)24)6-7-11(12)18-14-13(15(21)16(14)22)17-9-4-2-1-3-5-9/h1-8,18,20,22H/b17-13-
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| InChIKey |
LXSMTFUUFKLGLR-LGMDPLHJSA-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