General Information of the Compound
| Compound ID |
CP0507386
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| Compound Name |
10,12-difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,25,29-hexazahexacyclo[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 |
C27H18F2N6O4S
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| Molecular Weight |
560.542
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cncc(c1)-c1ccnc3ccc-2nc13
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| InChI |
InChI=1S/C27H18F2N6O4S/c1-39-27-23-7-16(13-33-27)21-2-3-22-25(34-21)17(4-5-31-22)15-6-14(10-30-12-15)11-32-26(36)18-8-24(40(37,38)35-23)20(29)9-19(18)28/h2-10,12-13,35H,11H2,1H3,(H,32,36)
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| InChIKey |
XEVSZKHCEQKQQL-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