General Information of the Compound
| Compound ID |
CP0478323
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| Compound Name |
US9434725, 306
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| Structure |
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| Formula |
C21H19F4N7
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| Molecular Weight |
445.424
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| Canonical SMILES |
FC1CCNCC1c1cccc(n1)-n1ncc2cnc(cc12)-c1cnn(CC(F)(F)F)c1
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| InChI |
InChI=1S/C21H19F4N7/c22-16-4-5-26-10-15(16)17-2-1-3-20(30-17)32-19-6-18(27-7-13(19)8-29-32)14-9-28-31(11-14)12-21(23,24)25/h1-3,6-9,11,15-16,26H,4-5,10,12H2
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| InChIKey |
XOPGEDRLDVPEFY-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