General Information of the Compound
| Compound ID |
CP0518181
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| Compound Name |
US9278960, 4-26
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| Structure |
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| Formula |
C21H19F2N3O
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| Molecular Weight |
367.399
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC[C@@H](F)C3)cc2n1
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| InChI |
InChI=1S/C21H19F2N3O/c22-15-4-2-14(3-5-15)18-10-20(21(24)27)25-19-9-13(1-6-17(18)19)11-26-8-7-16(23)12-26/h1-6,9-10,16H,7-8,11-12H2,(H2,24,27)/t16-/m1/s1
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| InChIKey |
MDJSWKIKWQMHSU-MRXNPFEDSA-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