General Information of the Compound
| Compound ID |
CP0578168
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| Compound Name |
US9233953, 115
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| Structure |
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| Formula |
C20H21F4N3O4S
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| Molecular Weight |
475.464
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| Canonical SMILES |
Fc1ccccc1C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1nc(co1)C(F)(F)F
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| InChI |
InChI=1S/C20H21F4N3O4S/c21-15-4-2-1-3-14(15)16-11-26(19-25-17(12-31-19)20(22,23)24)7-8-27(16)18(28)13-5-9-32(29,30)10-6-13/h1-4,12-13,16H,5-11H2
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| InChIKey |
BCATUFVDONBXRB-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