General Information of the Compound
| Compound ID |
CP0565718
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| Compound Name |
US8741923, 1
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| Structure |
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| Formula |
C22H20F3N5O
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| Molecular Weight |
427.43
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| Canonical SMILES |
CC1CCCCN1c1ccc(cc1C(F)(F)F)-c1nc(no1)-c1ccc2nc[nH]c2c1
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| InChI |
InChI=1S/C22H20F3N5O/c1-13-4-2-3-9-30(13)19-8-6-15(10-16(19)22(23,24)25)21-28-20(29-31-21)14-5-7-17-18(11-14)27-12-26-17/h5-8,10-13H,2-4,9H2,1H3,(H,26,27)
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| InChIKey |
YODWJRXSALLNEY-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