General Information of the Compound
| Compound ID |
CP0384106
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| Compound Name |
US9303045, 93
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| Structure |
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| Formula |
C20H26FN3O4S
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| Molecular Weight |
423.51
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| Canonical SMILES |
CC(C)S(=O)(=O)n1cc(C(=O)NC2CC3COCC(C2)N3C)c2cc(F)ccc12
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| InChI |
InChI=1S/C20H26FN3O4S/c1-12(2)29(26,27)24-9-18(17-6-13(21)4-5-19(17)24)20(25)22-14-7-15-10-28-11-16(8-14)23(15)3/h4-6,9,12,14-16H,7-8,10-11H2,1-3H3,(H,22,25)
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| InChIKey |
DUSCXTLEBXRHTB-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