General Information of the Compound
| Compound ID |
CP0946113
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| Compound Name |
3-((Ethylaminocarbonothioyl)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 |
C29H25N3O9S
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| Molecular Weight |
591.598
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| Canonical SMILES |
CC/N=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/C29H25N3O9S/c1-4-30-29(42)32-31-9-12-7-11-5-6-13-18(16(11)24(36)17(12)28(39)40)25(37)20-21(27(13)41-3)26(38)19-14(23(20)35)8-15(33)10(2)22(19)34/h7-9,33-34,36-37H,4-6H2,1-3H3,(H,39,40)(H2,30,32,42)/b31-9+
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| InChIKey |
KWQPUWOZNMLMEM-LODFRUGASA-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