General Information of the Compound
| Compound ID |
CP0194663
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| Compound Name |
7-[[[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]-1H-pyrido[3,4-b][1,4]oxazin-2-one
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| Structure |
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| Formula |
C26H26FN5O5
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| Molecular Weight |
507.522
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2cc3NC(=O)COc3cn2)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C26H26FN5O5/c27-16-9-29-17-1-2-21(34)32-13-26(35,22(16)23(17)32)12-25-5-3-24(4-6-25,14-37-25)30-8-15-7-18-19(10-28-15)36-11-20(33)31-18/h1-2,7,9-10,30,35H,3-6,8,11-14H2,(H,31,33)/t24?,25?,26-/m0/s1
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| InChIKey |
HIQCZVJSFRPFDU-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