General Information of the Compound
| Compound ID |
CP0518601
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| Compound Name |
US9012651, 60
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| Structure |
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| Formula |
C21H28FN3O3S
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| Molecular Weight |
421.538
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cccc(c1)S(=O)(=O)N1CCCC1
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| InChI |
InChI=1S/C21H28FN3O3S/c1-15(2)21(14-26)23-13-20-18(22)8-9-19(24-20)16-6-5-7-17(12-16)29(27,28)25-10-3-4-11-25/h5-9,12,15,21,23,26H,3-4,10-11,13-14H2,1-2H3/t21-/m0/s1
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| InChIKey |
ZYTKULYHXGPSIH-NRFANRHFSA-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