General Information of the Compound
| Compound ID |
CP0536030
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| Compound Name |
US9062048, 123
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| Structure |
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| Formula |
C21H23F6N5O
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| Molecular Weight |
475.437
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| Canonical SMILES |
FC(F)(F)C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C21H23F6N5O/c22-20(23,24)12-1-4-15(5-2-12)32-9-14(10-32)31-18(33)8-28-19-16-7-13(21(25,26)27)3-6-17(16)29-11-30-19/h3,6-7,11-12,14-15H,1-2,4-5,8-10H2,(H,31,33)(H,28,29,30)
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| InChIKey |
WYZXXEVTIGVJHZ-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