General Information of the Compound
| Compound ID |
CP0478819
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| Compound Name |
US9242943, 41
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| Structure |
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| Formula |
C19H20F3N3O2
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| Molecular Weight |
379.382
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| Canonical SMILES |
C[C@]1(COCC(N)=N1)c1cc(Nc2ccccc2OCC(F)F)ccc1F
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| InChI |
InChI=1S/C19H20F3N3O2/c1-19(11-26-10-18(23)25-19)13-8-12(6-7-14(13)20)24-15-4-2-3-5-16(15)27-9-17(21)22/h2-8,17,24H,9-11H2,1H3,(H2,23,25)/t19-/m0/s1
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| InChIKey |
QNHDYGNNUMCCRR-IBGZPJMESA-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