General Information of the Compound
| Compound ID |
CP0863131
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| Compound Name |
3-(((4-chloro-phenyl)aminocarbonothioyl)hydrazono]methyl)-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 |
C33H24ClN3O9S
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| Molecular Weight |
674.087
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| Canonical SMILES |
COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/N=C(\S)Nc3ccc(Cl)cc3)c(C(=O)O)c1O)CC2
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| InChI |
InChI=1S/C33H24ClN3O9S/c1-12-19(38)10-18-23(26(12)39)30(43)25-24(27(18)40)29(42)22-17(31(25)46-2)8-3-13-9-14(21(32(44)45)28(41)20(13)22)11-35-37-33(47)36-16-6-4-15(34)5-7-16/h4-7,9-11,38-39,41-42H,3,8H2,1-2H3,(H,44,45)(H2,36,37,47)/b35-11+
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| InChIKey |
IXWWKLDRSLBCKW-MKNNEFPQSA-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