General Information of the Compound
| Compound ID |
CP0566822
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| Compound Name |
(3R)-3-[[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylamino]-2-oxabicyclo[2.2.2]octan-1-yl]methyl]-5-fluoro-3-hydroxy-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 |
C26H24F3N3O5
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| Molecular Weight |
515.488
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| Canonical SMILES |
O[C@@]1(CC23CCC(CC2)(CO3)NCc2ccc3OC(F)(F)Oc3c2)Cn2c3c1c(F)cnc3ccc2=O
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| InChI |
InChI=1S/C26H24F3N3O5/c27-16-11-30-17-2-4-20(33)32-13-25(34,21(16)22(17)32)12-24-7-5-23(6-8-24,14-35-24)31-10-15-1-3-18-19(9-15)37-26(28,29)36-18/h1-4,9,11,31,34H,5-8,10,12-14H2/t23?,24?,25-/m0/s1
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| InChIKey |
IJXQAKUVHZQLLN-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