General Information of the Compound
| Compound ID |
CP0194662
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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]-7-methyl-4H-pyrido[3,2-b][1,4]oxazin-3-one
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| Structure |
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| Formula |
C27H28FN5O5
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| Molecular Weight |
521.549
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| Canonical SMILES |
Cc1cc2OCC(=O)Nc2nc1CNC12CCC(C[C@]3(O)Cn4c5c3c(F)cnc5ccc4=O)(CC1)OC2
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| InChI |
InChI=1S/C27H28FN5O5/c1-15-8-19-24(32-20(34)11-37-19)31-18(15)10-30-25-4-6-26(7-5-25,38-14-25)12-27(36)13-33-21(35)3-2-17-23(33)22(27)16(28)9-29-17/h2-3,8-9,30,36H,4-7,10-14H2,1H3,(H,31,32,34)/t25?,26?,27-/m0/s1
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| InChIKey |
ZAGJQGKEGYXFQH-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