General Information of the Compound
| Compound ID |
CP0556876
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| Compound Name |
US9199981, F53
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| Structure |
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| Formula |
C25H23F2N5O3
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| Molecular Weight |
479.487
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| Canonical SMILES |
CC(=O)CCc1ccc2ncc(C(=O)Nc3cc(ccc3C)-c3noc(n3)C3CC(F)(F)C3)n2c1
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| InChI |
InChI=1S/C25H23F2N5O3/c1-14-3-7-17(22-30-24(35-31-22)18-10-25(26,27)11-18)9-19(14)29-23(34)20-12-28-21-8-6-16(13-32(20)21)5-4-15(2)33/h3,6-9,12-13,18H,4-5,10-11H2,1-2H3,(H,29,34)
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| InChIKey |
CCLJVGUJPXWOOW-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