General Information of the Compound
| Compound ID |
CP0947431
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| Compound Name |
US9062048, 118
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| Structure |
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| Formula |
C24H33F2N5O
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| Molecular Weight |
445.558
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| Canonical SMILES |
CC(C)C1CCC(N2CC(NC(=O)CNc3ncnc4ccc(C(C)(F)F)cc34)C2)CC1
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| InChI |
InChI=1S/C24H33F2N5O/c1-15(2)16-4-7-19(8-5-16)31-12-18(13-31)30-22(32)11-27-23-20-10-17(24(3,25)26)6-9-21(20)28-14-29-23/h6,9-10,14-16,18-19H,4-5,7-8,11-13H2,1-3H3,(H,30,32)(H,27,28,29)
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| InChIKey |
DDGRFRKRHPEXOC-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