General Information of the Compound
| Compound ID |
CP0562452
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| Compound Name |
US9233953, 25
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| Structure |
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| Formula |
C21H22F3N3O3S
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| Molecular Weight |
453.486
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| Canonical SMILES |
Fc1ccc(nc1)N1CCN(C(C1)c1cccc(F)c1F)C(=O)C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C21H22F3N3O3S/c22-15-4-5-19(25-12-15)26-8-9-27(21(28)14-6-10-31(29,30)11-7-14)18(13-26)16-2-1-3-17(23)20(16)24/h1-5,12,14,18H,6-11,13H2
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| InChIKey |
CKBRKZGAVYKSQO-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