General Information of the Compound
| Compound ID |
CP0414450
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| Compound Name |
US9278960, 3-23
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| Structure |
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| Formula |
C26H25FN4O2
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| Molecular Weight |
444.51
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(cn3)C(O)C3CCCC3)cc2n1
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| InChI |
InChI=1S/C26H25FN4O2/c27-20-8-6-17(7-9-20)22-12-24(26(28)33)30-23-11-16(5-10-21(22)23)14-31-15-19(13-29-31)25(32)18-3-1-2-4-18/h5-13,15,18,25,32H,1-4,14H2,(H2,28,33)
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| InChIKey |
XLDRQGOOASXRPC-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