General Information of the Compound
| Compound ID |
CP0414449
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| Compound Name |
US9278960, 2-39
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| Structure |
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| Formula |
C22H18FN3O4
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| Molecular Weight |
407.401
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| Canonical SMILES |
COc1ccc(c(F)c1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O
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| InChI |
InChI=1S/C22H18FN3O4/c1-30-13-3-5-14(17(23)9-13)16-10-19(22(24)29)25-18-8-12(2-4-15(16)18)11-26-20(27)6-7-21(26)28/h2-5,8-10H,6-7,11H2,1H3,(H2,24,29)
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| InChIKey |
SJTAQJTXNNWMAB-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