General Information of the Compound
| Compound ID |
CP0567846
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| Compound Name |
5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,24,28,29-heptazahexacyclo[20.5.2.12,6.19,13.117,21.025,29]dotriaconta-1(28),2(32),3,5,9,11,13(31),17(30),18,20,22,24,26-tridecaen-14-one
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| Structure |
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| Formula |
C25H19N7O4S
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| Molecular Weight |
513.539
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(c1)-c1cnc3ccc-2nn13
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| InChI |
InChI=1S/C25H19N7O4S/c1-36-25-21-9-17(13-29-25)20-5-6-23-27-14-22(32(23)30-20)18-7-15(10-26-12-18)11-28-24(33)16-3-2-4-19(8-16)37(34,35)31-21/h2-10,12-14,31H,11H2,1H3,(H,28,33)
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| InChIKey |
MPTYSFBAWGHTBK-UHFFFAOYSA-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