General Information of the Compound
| Compound ID |
CP0286020
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| Compound Name |
(3R)-5-fluoro-3-hydroxy-3-[[4-[(4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]-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 |
C27H30FN5O4
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| Molecular Weight |
507.566
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| Canonical SMILES |
CN1CCOc2ccc(CNC34CCC(C[C@]5(O)Cn6c7c5c(F)cnc7ccc6=O)(CC3)OC4)nc12
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| InChI |
InChI=1S/C27H30FN5O4/c1-32-10-11-36-20-4-2-17(31-24(20)32)12-30-25-6-8-26(9-7-25,37-16-25)14-27(35)15-33-21(34)5-3-19-23(33)22(27)18(28)13-29-19/h2-5,13,30,35H,6-12,14-16H2,1H3/t25?,26?,27-/m0/s1
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| InChIKey |
PZHIKTHSEKCXFA-RCSZBHJWSA-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