General Information of the Compound
| Compound ID |
CP0576894
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| Compound Name |
US9278960, 4-52
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| Structure |
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| Formula |
C25H26FN3O2
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| Molecular Weight |
419.5
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC4(CCOC4)CC3)cc2n1
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| InChI |
InChI=1S/C25H26FN3O2/c26-19-4-2-18(3-5-19)21-14-23(24(27)30)28-22-13-17(1-6-20(21)22)15-29-10-7-25(8-11-29)9-12-31-16-25/h1-6,13-14H,7-12,15-16H2,(H2,27,30)
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| InChIKey |
MVVNQSXTSYYNPS-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