General Information of the Compound
| Compound ID |
CP0569722
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| Compound Name |
18-methoxy-15,15-dioxo-15lambda6-thia-4,5,8,16,19,26-hexazahexacyclo[20.6.2.12,5.110,14.117,21.025,29]tritriaconta-1(29),2(33),3,10(32),11,13,17,19,21(31),22(30),23,25,27-tridecaen-9-one
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| Structure |
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| Formula |
C27H22N6O4S
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| Molecular Weight |
526.578
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cccc(c1)C(=O)NCCn1cc(cn1)-c1ccnc3ccc-2cc13
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| InChI |
InChI=1S/C27H22N6O4S/c1-37-27-25-13-19(14-30-27)17-5-6-24-23(12-17)22(7-8-28-24)20-15-31-33(16-20)10-9-29-26(34)18-3-2-4-21(11-18)38(35,36)32-25/h2-8,11-16,32H,9-10H2,1H3,(H,29,34)
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| InChIKey |
DYGXXDWUBBWKAT-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