General Information of the Compound
| Compound ID |
CP0473638
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| Compound Name |
US10077266, Example 136
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| Structure |
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| Formula |
C22H30F2N6O2S
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| Molecular Weight |
480.585
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCN(Cc2ccc(F)cc2F)CC1)S(C)(=O)=O
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| InChI |
InChI=1S/C22H30F2N6O2S/c1-15(2)25-21-22(27-19-6-7-30(33(3,31)32)14-20(19)26-21)29-10-8-28(9-11-29)13-16-4-5-17(23)12-18(16)24/h4-5,12,15H,6-11,13-14H2,1-3H3,(H,25,26)
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| InChIKey |
LLDFGRFJUUBZCG-UHFFFAOYSA-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