General Information of the Compound
| Compound ID |
CP0462052
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| Compound Name |
1,8-Dihydroxy-10-[2-(4-nitro-phenyl)-acetyl]-10H-anthracen-9-one
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| Structure |
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| Formula |
C22H15NO6
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| Molecular Weight |
389.363
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| Canonical SMILES |
Oc1cccc2C(C(=O)Cc3ccc(cc3)[N+]([O-])=O)c3cccc(O)c3C(=O)c12
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| InChI |
InChI=1S/C22H15NO6/c24-16-5-1-3-14-19(15-4-2-6-17(25)21(15)22(27)20(14)16)18(26)11-12-7-9-13(10-8-12)23(28)29/h1-10,19,24-25H,11H2
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| InChIKey |
FTMIEKKGADRIGC-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