General Information of the Compound
| Compound ID |
CP0554412
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| Compound Name |
US9428456, 2.044
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| Structure |
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| Formula |
C26H32F2N4O2
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| Molecular Weight |
470.564
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| Canonical SMILES |
Cc1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCC(F)(F)CC2)c1
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| InChI |
InChI=1S/C26H32F2N4O2/c1-18-13-21(16-29-15-18)25(34)31-23-4-2-3-19(14-23)17-32-11-7-20(8-12-32)24(33)30-22-5-9-26(27,28)10-6-22/h2-4,13-16,20,22H,5-12,17H2,1H3,(H,30,33)(H,31,34)
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| InChIKey |
DOTJXUNEEDIKOR-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