General Information of the Compound
| Compound ID |
CP0555289
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| Compound Name |
6-[[[1-[[(3R)-5-fluoro-3-hydroxy-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl]methyl]-2-oxabicyclo[2.2.2]octan-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]thiazin-3-one
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| Structure |
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| Formula |
C26H26FN5O4S
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| Molecular Weight |
523.59
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3SCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C26H26FN5O4S/c27-16-10-28-17-2-4-20(34)32-13-26(35,21(16)22(17)32)12-25-7-5-24(6-8-25,14-36-25)29-9-15-1-3-18-23(30-15)31-19(33)11-37-18/h1-4,10,29,35H,5-9,11-14H2,(H,30,31,33)/t24?,25?,26-/m0/s1
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| InChIKey |
QGRGRROYOJRBER-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