General Information of the Compound
| Compound ID |
CP0539499
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| Compound Name |
US9428456, 1.059
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| Structure |
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| Formula |
C26H31F3N4O2
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| Molecular Weight |
488.554
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| Canonical SMILES |
FC(F)(F)c1ncccc1C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C26H31F3N4O2/c27-26(28,29)23-22(10-5-13-30-23)25(35)32-21-9-4-6-18(16-21)17-33-14-11-19(12-15-33)24(34)31-20-7-2-1-3-8-20/h4-6,9-10,13,16,19-20H,1-3,7-8,11-12,14-15,17H2,(H,31,34)(H,32,35)
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| InChIKey |
KNYVZCJFIJMOEF-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