General Information of the Compound
| Compound ID |
CP0367923
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| Compound Name |
2-[[[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]-8H-pyrimido[5,4-b][1,4]oxazin-7-one
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| Structure |
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| Formula |
C25H25FN6O5
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| Molecular Weight |
508.51
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ncc3OCC(=O)Nc3n2)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C25H25FN6O5/c26-14-7-27-15-1-2-19(34)32-12-25(35,20(14)21(15)32)11-24-5-3-23(4-6-24,13-37-24)29-9-17-28-8-16-22(30-17)31-18(33)10-36-16/h1-2,7-8,29,35H,3-6,9-13H2,(H,28,30,31,33)/t23?,24?,25-/m0/s1
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| InChIKey |
DEFKYEGQWFDOHF-STEQJIOHSA-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