General Information of the Compound
| Compound ID |
CP0916585
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| Compound Name |
3-((Methylaminocarbonothioyl)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 |
C28H23N3O9S
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| Molecular Weight |
577.571
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| Canonical SMILES |
CN/C(S)=N/N=C/c1cc2c(c(O)c1C(=O)O)-c1c(O)c3c(c(OC)c1CC2)C(=O)c1c(cc(O)c(C)c1O)C3=O
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| InChI |
InChI=1S/C28H23N3O9S/c1-9-14(32)7-13-18(21(9)33)25(37)20-19(22(13)34)24(36)17-12(26(20)40-3)5-4-10-6-11(8-30-31-28(41)29-2)16(27(38)39)23(35)15(10)17/h6-8,32-33,35-36H,4-5H2,1-3H3,(H,38,39)(H2,29,31,41)/b30-8+
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| InChIKey |
GNMGEMXJINLKFD-BEJOPBHTSA-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