General Information of the Compound
| Compound ID |
CP0491646
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| Compound Name |
US9296734, 105
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| Structure |
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| Formula |
C19H13ClF5N3O2
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| Molecular Weight |
445.775
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| Canonical SMILES |
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(ccc1F)-c1nc2ccc(Cl)cc2o1
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| InChI |
InChI=1S/C19H13ClF5N3O2/c20-10-2-4-13-14(6-10)29-16(27-13)9-1-3-12(22)11(5-9)18(8-21)7-15(19(23,24)25)30-17(26)28-18/h1-6,15H,7-8H2,(H2,26,28)/t15-,18+/m0/s1
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| InChIKey |
SBFYDEMGEKSXPD-MAUKXSAKSA-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