General Information of the Compound
| Compound ID |
CP0916052
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| Compound Name |
3-((Butylaminocarbonothioyl)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 |
C31H29N3O9S
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| Molecular Weight |
619.652
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| Canonical SMILES |
CCCC/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/C31H29N3O9S/c1-4-5-8-32-31(44)34-33-11-14-9-13-6-7-15-20(18(13)26(38)19(14)30(41)42)27(39)22-23(29(15)43-3)28(40)21-16(25(22)37)10-17(35)12(2)24(21)36/h9-11,35-36,38-39H,4-8H2,1-3H3,(H,41,42)(H2,32,34,44)/b33-11+
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| InChIKey |
UBHWPAXTEMRKMD-RRDBNTQTSA-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