General Information of the Compound
| Compound ID |
CP0573444
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| Compound Name |
17-methoxy-14,14-dioxo-14lambda6-thia-2,7,15,18,25,27-hexazahexacyclo[19.6.2.22,5.19,13.116,20.024,28]tritriaconta-1(27),9(31),10,12,16,18,20(30),21(29),22,24(28),25-undecaen-8-one
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| Structure |
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| Formula |
C27H26N6O4S
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| Molecular Weight |
530.61
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCC1CCN(CC1)c1ncnc3ccc-2cc13
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| InChI |
InChI=1S/C27H26N6O4S/c1-37-27-24-13-20(15-29-27)18-5-6-23-22(12-18)25(31-16-30-23)33-9-7-17(8-10-33)14-28-26(34)19-3-2-4-21(11-19)38(35,36)32-24/h2-6,11-13,15-17,32H,7-10,14H2,1H3,(H,28,34)
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| InChIKey |
BEXKSZVHHBDOBF-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