General Information of the Compound
| Compound ID |
CP0549048
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| Compound Name |
10,12-difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,25-tetrazahexacyclo[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 |
C29H20F2N4O4S
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| Molecular Weight |
558.566
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| Canonical SMILES |
COc1ncc-2cc1NS(=O)(=O)c1cc(c(F)cc1F)C(=O)NCc1cccc(c1)-c1ccnc3ccc-2cc13
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| InChI |
InChI=1S/C29H20F2N4O4S/c1-39-29-26-11-19(15-34-29)17-5-6-25-21(10-17)20(7-8-32-25)18-4-2-3-16(9-18)14-33-28(36)22-12-27(40(37,38)35-26)24(31)13-23(22)30/h2-13,15,35H,14H2,1H3,(H,33,36)
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| InChIKey |
AKRKPYLJMKNEOI-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