General Information of the Compound
| Compound ID |
CP0429121
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| Compound Name |
US9012651, 219
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| Structure |
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| Formula |
C21H34FN3O3
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| Molecular Weight |
395.519
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)C1CCCN(C1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C21H34FN3O3/c1-14(2)19(13-26)23-11-18-16(22)8-9-17(24-18)15-7-6-10-25(12-15)20(27)28-21(3,4)5/h8-9,14-15,19,23,26H,6-7,10-13H2,1-5H3/t15?,19-/m0/s1
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| InChIKey |
KWVYFSHNXHJHSE-FUBQLUNQSA-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