General Information of the Compound
| Compound ID |
CP0862743
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| Compound Name |
1,9,11,14-Tetrahydroxy-7-methoxy-10-methyl-8,13-dioxo-3-[(piperidine-1-carbothioyl)-hydrazonomethyl]-5,6,8,13-tetrahydro-benzo[a]naphthacene-2-carboxylic acid
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| Structure |
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| Formula |
C32H29N3O9S
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| Molecular Weight |
631.663
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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)N3CCCCC3)c(C(=O)O)c1O)CC2
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| InChI |
InChI=1S/C32H29N3O9S/c1-13-18(36)11-17-22(25(13)37)29(41)24-23(26(17)38)28(40)21-16(30(24)44-2)7-6-14-10-15(20(31(42)43)27(39)19(14)21)12-33-34-32(45)35-8-4-3-5-9-35/h10-12,36-37,39-40H,3-9H2,1-2H3,(H,34,45)(H,42,43)/b33-12+
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| InChIKey |
QQJGADIIGQBGEG-RVDKCFQWSA-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