General Information of the Compound
| Compound ID |
CP0566820
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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]-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-7-yl] benzoate
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| Structure |
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| Formula |
C33H30FN5O7
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| Molecular Weight |
627.629
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2nc3NC(=O)COc3cc2OC(=O)c2ccccc2)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C33H30FN5O7/c34-20-13-35-21-6-7-26(41)39-17-33(43,27(20)28(21)39)16-32-10-8-31(9-11-32,18-45-32)36-14-22-23(46-30(42)19-4-2-1-3-5-19)12-24-29(37-22)38-25(40)15-44-24/h1-7,12-13,36,43H,8-11,14-18H2,(H,37,38,40)/t31?,32?,33-/m0/s1
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| InChIKey |
FWPQNGRHJAYFEG-PJUZOBRJSA-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