General Information of the Compound
| Compound ID |
CP0113102
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| Compound Name |
2-Ethyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-1lambda*6*-thia-2-aza-anthracene-3-carboxylic acid (1-formyl-3-methyl-butyl)-amide
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| Structure |
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| Formula |
C19H26N2O6S
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| Molecular Weight |
410.492
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| Canonical SMILES |
CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](CC(C)C)C=O
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| InChI |
InChI=1S/C19H26N2O6S/c1-4-21-15(19(23)20-14(11-22)7-12(2)3)8-13-9-16-17(27-6-5-26-16)10-18(13)28(21,24)25/h9-12,14-15H,4-8H2,1-3H3,(H,20,23)/t14-,15?/m0/s1
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| InChIKey |
IEOOUUUGLBHOIM-MLCCFXAWSA-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