General Information of the Compound
| Compound ID |
CP0578166
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| Compound Name |
US9233953, 97
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| Structure |
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| Formula |
C21H25FN4O3S2
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| Molecular Weight |
464.588
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| Canonical SMILES |
Fc1ccc(s1)C1CN(CCN1C(=O)C1CCS(=O)(=O)CC1)c1ncc(cn1)C1CC1
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| InChI |
InChI=1S/C21H25FN4O3S2/c22-19-4-3-18(30-19)17-13-25(21-23-11-16(12-24-21)14-1-2-14)7-8-26(17)20(27)15-5-9-31(28,29)10-6-15/h3-4,11-12,14-15,17H,1-2,5-10,13H2
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| InChIKey |
LIBYGAWGFKHQSC-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