General Information of the Compound
| Compound ID |
CP0566821
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| Compound Name |
(3R)-3-[[4-[(4,4-dioxo-2,3-dihydro-[1,4]oxathiino[3,2-c]pyridin-7-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]-5-fluoro-3-hydroxy-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
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| Structure |
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| Formula |
C26H27FN4O6S
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| Molecular Weight |
542.589
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3OCCS(=O)(=O)c3cn2)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C26H27FN4O6S/c27-17-11-29-18-1-2-21(32)31-14-26(33,22(17)23(18)31)13-25-5-3-24(4-6-25,15-37-25)30-10-16-9-19-20(12-28-16)38(34,35)8-7-36-19/h1-2,9,11-12,30,33H,3-8,10,13-15H2/t24?,25?,26-/m0/s1
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| InChIKey |
BARSDRQMSGDHMO-WNMGUVTHSA-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