General Information of the Compound
| Compound ID |
CP0193881
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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 [(S)-2-(3-benzenesulfonylamino-propylcarbamoyl)-1-benzyl-2-oxo-ethyl]-amide
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| Structure |
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| Formula |
C32H36N4O9S2
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| Molecular Weight |
684.793
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| Canonical SMILES |
CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCCNS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C32H36N4O9S2/c1-2-36-26(19-23-20-27-28(45-17-16-44-27)21-29(23)47(36,42)43)31(38)35-25(18-22-10-5-3-6-11-22)30(37)32(39)33-14-9-15-34-46(40,41)24-12-7-4-8-13-24/h3-8,10-13,20-21,25-26,34H,2,9,14-19H2,1H3,(H,33,39)(H,35,38)/t25-,26?/m0/s1
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| InChIKey |
LFFGXCHUIUEMCG-PMCHYTPCSA-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