General Information of the Compound
| Compound ID |
CP0482032
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| Compound Name |
(2S,3S)-3-[[6-(difluoromethyl)-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)thieno[3,2-d]pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
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| Structure |
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| Formula |
C23H20F3N5O2S
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| Molecular Weight |
487.507
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| Canonical SMILES |
OC(=O)[C@H]1C2CCC(CC2)[C@@H]1Nc1nc(nc2cc(sc12)C(F)F)-c1c[nH]c2ncc(F)cc12
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| InChI |
InChI=1S/C23H20F3N5O2S/c24-11-5-12-13(8-28-20(12)27-7-11)21-29-14-6-15(19(25)26)34-18(14)22(31-21)30-17-10-3-1-9(2-4-10)16(17)23(32)33/h5-10,16-17,19H,1-4H2,(H,27,28)(H,32,33)(H,29,30,31)/t9?,10?,16-,17-/m0/s1
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| InChIKey |
JMWXCXNGCRMLIV-WRQLEZRVSA-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