General Information of the Compound
| Compound ID |
CP0484030
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| Compound Name |
US9012651, 50
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| Structure |
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| Formula |
C20H28FN3O3S
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| Molecular Weight |
409.527
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| Canonical SMILES |
CC(C)[C@H](CO)NCc1nc(ccc1F)-c1cc(ccc1C)S(=O)(=O)N(C)C
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| InChI |
InChI=1S/C20H28FN3O3S/c1-13(2)20(12-25)22-11-19-17(21)8-9-18(23-19)16-10-15(7-6-14(16)3)28(26,27)24(4)5/h6-10,13,20,22,25H,11-12H2,1-5H3/t20-/m0/s1
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| InChIKey |
ZDWYJSQRXSXPGD-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