General Information of the Compound
| Compound ID |
CP0949148
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| Compound Name |
3-(((4-methyl-cyclohexyl)aminocarbonothioyl)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 |
C34H33N3O9S
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| Molecular Weight |
659.717
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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)NC3CCC(C)CC3)c(C(=O)O)c1O)CC2
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| InChI |
InChI=1S/C34H33N3O9S/c1-13-4-7-17(8-5-13)36-34(47)37-35-12-16-10-15-6-9-18-23(21(15)29(41)22(16)33(44)45)30(42)25-26(32(18)46-3)31(43)24-19(28(25)40)11-20(38)14(2)27(24)39/h10-13,17,38-39,41-42H,4-9H2,1-3H3,(H,44,45)(H2,36,37,47)/b35-12+
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| InChIKey |
PVXYUNRWARNDNB-RHQFVSDJSA-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