General Information of the Compound
| Compound ID |
CP0507385
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| Compound Name |
18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26,28-heptazahexacyclo[20.6.2.12,5.110,14.117,21.025,29]tritriaconta-1(28),2(33),3,10(32),11,13,17,19,21(31),22(30),23,25(29),26-tridecaen-9-one
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| Structure |
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| Formula |
C26H21N7O4S
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| Molecular Weight |
527.566
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ncnc3ccc-2cc13
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| InChI |
InChI=1S/C26H21N7O4S/c1-37-26-23-11-18(12-28-26)16-5-6-22-21(10-16)24(30-15-29-22)19-13-31-33(14-19)8-7-27-25(34)17-3-2-4-20(9-17)38(35,36)32-23/h2-6,9-15,32H,7-8H2,1H3,(H,27,34)
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| InChIKey |
VWNVCKQEAMDLCY-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