General Information of the Compound
| Compound ID |
CP0448736
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| Compound Name |
US8765733, 24
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| Structure |
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| Formula |
C22H27F4N5O3S
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| Molecular Weight |
517.549
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| Canonical SMILES |
CC1CCN(CC1)c1nc(ccc1CNC(=O)Nc1ccc(CNS(C)(=O)=O)c(F)c1)C(F)(F)F
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| InChI |
InChI=1S/C22H27F4N5O3S/c1-14-7-9-31(10-8-14)20-16(4-6-19(30-20)22(24,25)26)12-27-21(32)29-17-5-3-15(18(23)11-17)13-28-35(2,33)34/h3-6,11,14,28H,7-10,12-13H2,1-2H3,(H2,27,29,32)
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| InChIKey |
NAXMRUCVDLYTPD-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