General Information of the Compound
| Compound ID |
CP0858853
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| Compound Name |
3-((cyclooctylaminocarbonothioyl)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 |
C35H35N3O9S
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| Molecular Weight |
673.744
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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)NC3CCCCCCC3)c(C(=O)O)c1O)CC2
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| InChI |
InChI=1S/C35H35N3O9S/c1-15-21(39)13-20-25(28(15)40)32(44)27-26(29(20)41)31(43)24-19(33(27)47-2)11-10-16-12-17(23(34(45)46)30(42)22(16)24)14-36-38-35(48)37-18-8-6-4-3-5-7-9-18/h12-14,18,39-40,42-43H,3-11H2,1-2H3,(H,45,46)(H2,37,38,48)/b36-14+
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| InChIKey |
OZYCPPAWYGLOHU-QQMJPZKZSA-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