General Information of the Compound
| Compound ID |
CP0907750
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| Compound Name |
3-(((4-methoxy-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 |
C34H27N3O10S
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| Molecular Weight |
669.668
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| Canonical SMILES |
COc1ccc(N/C(S)=N/N=C/c2cc3c(c(O)c2C(=O)O)-c2c(O)c4c(c(OC)c2CC3)C(=O)c2c(cc(O)c(C)c2O)C4=O)cc1
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| InChI |
InChI=1S/C34H27N3O10S/c1-13-20(38)11-19-24(27(13)39)31(43)26-25(28(19)40)30(42)23-18(32(26)47-3)9-4-14-10-15(22(33(44)45)29(41)21(14)23)12-35-37-34(48)36-16-5-7-17(46-2)8-6-16/h5-8,10-12,38-39,41-42H,4,9H2,1-3H3,(H,44,45)(H2,36,37,48)/b35-12+
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| InChIKey |
LRRNOILDBGUAGO-RHQFVSDJSA-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