General Information of the Compound
| Compound ID |
CP0437658
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| Compound Name |
3-Hydrazonomethyl-1,9,11,14-tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-5,6,8,13-tetrahydro-benzo[a]naphthacene-2-carboxylic acid
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| Structure |
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| Formula |
C26H18O10
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| Molecular Weight |
490.42
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| Canonical SMILES |
COc1c2CCc3cc4C(O)OC(=O)c4c(O)c3-c2c(O)c2C(=O)c3cc(O)c(C)c(O)c3C(=O)c12
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| InChI |
InChI=1S/C26H18O10/c1-7-12(27)6-10-15(19(7)28)23(32)18-17(20(10)29)22(31)14-9(24(18)35-2)4-3-8-5-11-16(21(30)13(8)14)26(34)36-25(11)33/h5-6,25,27-28,30-31,33H,3-4H2,1-2H3
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| InChIKey |
PQRDWKDEWVPKGS-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