General Information of the Compound
| Compound ID |
CP0544403
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| Compound Name |
US9428456, 1.212
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| Structure |
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| Formula |
C25H29F3N4O2
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| Molecular Weight |
474.527
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| Canonical SMILES |
FC(F)(F)c1cncc(c1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCC2)c1
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| InChI |
InChI=1S/C25H29F3N4O2/c26-25(27,28)20-13-19(14-29-15-20)24(34)31-22-7-3-4-17(12-22)16-32-10-8-18(9-11-32)23(33)30-21-5-1-2-6-21/h3-4,7,12-15,18,21H,1-2,5-6,8-11,16H2,(H,30,33)(H,31,34)
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| InChIKey |
DOXSQVKLAWHZBB-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