General Information of the Compound
| Compound ID |
CP0506770
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| Compound Name |
US9062048, 103
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| Structure |
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| Formula |
C20H22F3N5O2
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| Molecular Weight |
421.423
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCC(=O)CC3)c2c1
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| InChI |
InChI=1S/C20H22F3N5O2/c21-20(22,23)12-1-6-17-16(7-12)19(26-11-25-17)24-8-18(30)27-13-9-28(10-13)14-2-4-15(29)5-3-14/h1,6-7,11,13-14H,2-5,8-10H2,(H,27,30)(H,24,25,26)
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| InChIKey |
DMLRWEUQNVZYCU-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