General Information of the Compound
| Compound ID |
CP0564907
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| Compound Name |
US9242943, 40
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| Structure |
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| Formula |
C19H20ClFN4O
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| Molecular Weight |
374.847
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| Canonical SMILES |
C[C@]1(COCC(N)=N1)c1cc(NC2CCc3cc(Cl)cnc23)ccc1F
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| InChI |
InChI=1S/C19H20ClFN4O/c1-19(10-26-9-17(22)25-19)14-7-13(3-4-15(14)21)24-16-5-2-11-6-12(20)8-23-18(11)16/h3-4,6-8,16,24H,2,5,9-10H2,1H3,(H2,22,25)/t16?,19-/m0/s1
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| InChIKey |
JQWLQZLXFFDJIN-CVMIBEPCSA-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