General Information of the Compound
| Compound ID |
CP0528951
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| Compound Name |
(4'R,6'S,7'S)-17'-fluoro-4',6'-dimethyl-13'-(2-oxo-1,3-thiazolidin-3-yl)spiro[1,3-diazinane-5,8'-5,15-dioxa-2,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),10,12(16),13-tetraene]-2,4,6-trione
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| Structure |
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| Formula |
C21H20FN5O6S
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| Molecular Weight |
489.485
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| Canonical SMILES |
C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2CCSC2=O)C(=O)NC(=O)NC1=O
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| InChI |
InChI=1S/C21H20FN5O6S/c1-8-7-27-13-10(5-11-14(12(13)22)33-25-16(11)26-3-4-34-20(26)31)6-21(15(27)9(2)32-8)17(28)23-19(30)24-18(21)29/h5,8-9,15H,3-4,6-7H2,1-2H3,(H2,23,24,28,29,30)/t8-,9+,15-/m1/s1
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| InChIKey |
PFCOYBFWHGUMKB-CEFVDNRUSA-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