General Information of the Compound
| Compound ID |
CP0514980
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| Compound Name |
US9206164, 56
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| Structure |
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| Formula |
C23H23FN4O2
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| Molecular Weight |
406.461
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| Canonical SMILES |
CCc1nn(Cc2ccc(cc2)-c2nc3cc(F)ccc3[nH]2)c(CC)c1CC(O)=O
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| InChI |
InChI=1S/C23H23FN4O2/c1-3-18-17(12-22(29)30)21(4-2)28(27-18)13-14-5-7-15(8-6-14)23-25-19-10-9-16(24)11-20(19)26-23/h5-11H,3-4,12-13H2,1-2H3,(H,25,26)(H,29,30)
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| InChIKey |
OTTSPODXLUGWTC-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