General Information of the Compound
| Compound ID |
CP0168893
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| Compound Name |
2-Methyl-1,1-dioxo-1,2,3,4,6,7-hexahydro-5,8-dioxa-1lambda*6*-thia-2-aza-anthracene-3-carboxylic acid (5-benzenesulfonylamino-1-formyl-pentyl)-amide
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| Structure |
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| Formula |
C24H29N3O8S2
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| Molecular Weight |
551.643
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| Canonical SMILES |
CN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C=O
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| InChI |
InChI=1S/C24H29N3O8S2/c1-27-20(13-17-14-21-22(35-12-11-34-21)15-23(17)37(27,32)33)24(29)26-18(16-28)7-5-6-10-25-36(30,31)19-8-3-2-4-9-19/h2-4,8-9,14-16,18,20,25H,5-7,10-13H2,1H3,(H,26,29)/t18-,20?/m0/s1
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| InChIKey |
LHNMAPVBKWRJSP-LROBGIAVSA-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