General Information of the Compound
| Compound ID |
CP0272483
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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-(2-benzenesulfonylamino-ethylcarbamoyl)-1-benzyl-2-oxo-ethyl]-amide
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| Structure |
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| Formula |
C31H34N4O9S2
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| Molecular Weight |
670.766
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| Canonical SMILES |
CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C31H34N4O9S2/c1-2-35-25(18-22-19-26-27(44-16-15-43-26)20-28(22)46(35,41)42)30(37)34-24(17-21-9-5-3-6-10-21)29(36)31(38)32-13-14-33-45(39,40)23-11-7-4-8-12-23/h3-12,19-20,24-25,33H,2,13-18H2,1H3,(H,32,38)(H,34,37)/t24-,25?/m0/s1
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| InChIKey |
RMFBRTUWKVBHBU-SKCDSABHSA-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