General Information of the Compound
| Compound ID |
CP0219076
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| Compound Name |
26-methoxy-23,23-dioxo-23lambda6,32-dithia-3,4,6,16,24,27-hexazahexacyclo[23.3.1.12,5.110,14.118,22.04,8]dotriaconta-1(29),2,5,7,10(31),11,13,18(30),19,21,25,27-dodecaen-17-one
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| Formula |
C25H20N6O4S2
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| Molecular Weight |
532.607
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(Cc3cnc4sc-2nn34)c1
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| InChI |
InChI=1S/C25H20N6O4S2/c1-35-23-21-11-18(13-27-23)24-29-31-19(14-28-25(31)36-24)9-15-4-2-5-16(8-15)12-26-22(32)17-6-3-7-20(10-17)37(33,34)30-21/h2-8,10-11,13-14,30H,9,12H2,1H3,(H,26,32)
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| InChIKey |
DSJDDPDNQHNXLC-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