General Information of the Compound
| Compound ID |
CP0533751
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| Compound Name |
US9303045, 54
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| Structure |
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| Formula |
C19H23FN2O5S
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| Molecular Weight |
410.467
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| Canonical SMILES |
CC(C)S(=O)(=O)n1cc(C(=O)OC2CC3COCC(C2)N3)c2cc(F)ccc12
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| InChI |
InChI=1S/C19H23FN2O5S/c1-11(2)28(24,25)22-8-17(16-5-12(20)3-4-18(16)22)19(23)27-15-6-13-9-26-10-14(7-15)21-13/h3-5,8,11,13-15,21H,6-7,9-10H2,1-2H3
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| InChIKey |
IWFUUTFEPCGGJK-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