General Information of the Compound
| Compound ID |
CP0342893
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| Compound Name |
2-Methyl-1,1-dioxo-1,2,6,7-tetrahydro-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 |
C21H20N2O6S
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| Molecular Weight |
428.466
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| Canonical SMILES |
CN1C(=Cc2cc3OCCOc3cc2S1(=O)=O)C(=O)N[C@@H](Cc1ccccc1)C=O
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| InChI |
InChI=1S/C21H20N2O6S/c1-23-17(21(25)22-16(13-24)9-14-5-3-2-4-6-14)10-15-11-18-19(29-8-7-28-18)12-20(15)30(23,26)27/h2-6,10-13,16H,7-9H2,1H3,(H,22,25)/t16-/m0/s1
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| InChIKey |
RWTOGVAROQPURD-INIZCTEOSA-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