General Information of the Compound
| Compound ID |
CP0510275
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| Compound Name |
US9012651, 273
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| Structure |
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| Formula |
C24H30FN3O3
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| Molecular Weight |
427.52
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc2ccccc2n1C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C24H30FN3O3/c1-15(2)20(14-29)26-13-19-17(25)10-11-18(27-19)22-12-16-8-6-7-9-21(16)28(22)23(30)31-24(3,4)5/h6-12,15,20,26,29H,13-14H2,1-5H3/t20-/m0/s1
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| InChIKey |
HGJDDNYWVQQSHX-FQEVSTJZSA-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