General Information of the Compound
| Compound ID |
CP0548384
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| Compound Name |
US9150546, I-301
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| Structure |
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| Formula |
C26H24ClFN4O3
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| Molecular Weight |
494.954
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)n(Cc3ccccc3)c(=O)n2Cc2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C26H24ClFN4O3/c1-17(2)35-23-13-12-21(14-22(23)28)29-24-30-25(33)32(16-18-6-4-3-5-7-18)26(34)31(24)15-19-8-10-20(27)11-9-19/h3-14,17H,15-16H2,1-2H3,(H,29,30,33)
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| InChIKey |
CRXFJQFRHPYGEW-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