General Information of the Compound
| Compound ID |
CP0229513
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| Compound Name |
5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,25,29-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
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| Structure |
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| Formula |
C28H21N5O4S
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| Molecular Weight |
523.574
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2nc13
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| InChI |
InChI=1S/C28H21N5O4S/c1-37-28-25-14-20(16-31-28)23-8-9-24-26(32-23)22(10-11-29-24)18-5-2-4-17(12-18)15-30-27(34)19-6-3-7-21(13-19)38(35,36)33-25/h2-14,16,33H,15H2,1H3,(H,30,34)
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| InChIKey |
YOXHMYTURAIHSR-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