General Information of the Compound
| Compound ID |
CP0229514
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| Compound Name |
26-methoxy-23,23-dioxo-23lambda6,32-dithia-3,4,6,12,16,24,27-heptazahexacyclo[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 |
C24H19N7O4S2
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| Molecular Weight |
533.595
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cncc(Cc3cnc4sc-2nn34)c1
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| InChI |
InChI=1S/C24H19N7O4S2/c1-35-22-20-8-17(12-27-22)23-29-31-18(13-28-24(31)36-23)6-14-5-15(10-25-9-14)11-26-21(32)16-3-2-4-19(7-16)37(33,34)30-20/h2-5,7-10,12-13,30H,6,11H2,1H3,(H,26,32)
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| InChIKey |
ZDLNPCMQRLKBNB-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