General Information of the Compound
| Compound ID |
CP0544294
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| Compound Name |
US9428456, 2.099
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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)c1cccc(n1)C(=O)Nc1cccc(CN2CCC(C2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C25H29F3N4O2/c26-25(27,28)22-11-5-10-21(31-22)24(34)30-20-9-4-6-17(14-20)15-32-13-12-18(16-32)23(33)29-19-7-2-1-3-8-19/h4-6,9-11,14,18-19H,1-3,7-8,12-13,15-16H2,(H,29,33)(H,30,34)
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| InChIKey |
DQXPNQLXLLPTHQ-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