General Information of the Compound
| Compound ID |
CP0048127
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| Compound Name |
(3S) 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-benzyl-2-oxo-ethyl)-amide
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| Structure |
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| Formula |
C22H24N2O6S
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| Molecular Weight |
444.509
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| Canonical SMILES |
CCN1C(Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
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| InChI |
InChI=1S/C22H24N2O6S/c1-2-24-18(22(26)23-17(14-25)10-15-6-4-3-5-7-15)11-16-12-19-20(30-9-8-29-19)13-21(16)31(24,27)28/h3-7,12-14,17-18H,2,8-11H2,1H3,(H,23,26)/t17-,18?/m0/s1
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| InChIKey |
NYRPMOIPQNHQBP-ZENAZSQFSA-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