General Information of the Compound
| Compound ID |
CP0578091
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| Compound Name |
US9278960, 2-18
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| Structure |
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| Formula |
C25H22FN3O3
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| Molecular Weight |
431.467
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CC4(CCCC4)C3=O)cc2n1
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| InChI |
InChI=1S/C25H22FN3O3/c26-17-6-4-16(5-7-17)19-12-21(23(27)31)28-20-11-15(3-8-18(19)20)14-29-22(30)13-25(24(29)32)9-1-2-10-25/h3-8,11-12H,1-2,9-10,13-14H2,(H2,27,31)
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| InChIKey |
QMEDXIXXPXRNQP-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