General Information of the Compound
| Compound ID |
CP0868516
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| Compound Name |
(6R,8R)-6-(2,6-difluoro-4-(2-(3-(fluoromethyl)azetidin-1-yl)ethoxy)phenyl)-7-(2-fluoro-2-methylpropyl)-8-methyl-6,7,8,9-tetrahydro-5H-pyrrolo[3,2-b:5,4-c]dipyridine
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| Structure |
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| Formula |
C27H32F4N4O
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| Molecular Weight |
504.572
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| Canonical SMILES |
C[C@@H]1Cc2c([nH]c3cccnc23)[C@@H](c2c(F)cc(OCCN3CC(CF)C3)cc2F)N1CC(C)(C)F
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| InChI |
InChI=1S/C27H32F4N4O/c1-16-9-19-24-22(5-4-6-32-24)33-25(19)26(35(16)15-27(2,3)31)23-20(29)10-18(11-21(23)30)36-8-7-34-13-17(12-28)14-34/h4-6,10-11,16-17,26,33H,7-9,12-15H2,1-3H3/t16-,26-/m1/s1
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| InChIKey |
ZDOMCKFEXAYLJW-AKJBCIBTSA-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