General Information of the Compound
| Compound ID |
CP0384109
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| Compound Name |
US9303045, 78
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| Structure |
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| Formula |
C17H20FN3O4S
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| Molecular Weight |
381.429
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| Canonical SMILES |
CS(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3)c2cc(F)ccc12
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| InChI |
InChI=1S/C17H20FN3O4S/c1-26(23,24)21-7-15(14-4-10(18)2-3-16(14)21)17(22)20-11-5-12-8-25-9-13(6-11)19-12/h2-4,7,11-13,19H,5-6,8-9H2,1H3,(H,20,22)
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| InChIKey |
LRLCEYPIWFDLJJ-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