General Information of the Compound
| Compound ID |
CP0477949
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| Compound Name |
US9315518, 34-3
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| Structure |
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| Formula |
C17H23F2N3O3S
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| Molecular Weight |
387.452
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| Canonical SMILES |
CC1C(C1C(C)(C)O)c1ccc2N(CC3CC3(F)F)S(=O)(=O)N(C)c2n1
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| InChI |
InChI=1S/C17H23F2N3O3S/c1-9-13(14(9)16(2,3)23)11-5-6-12-15(20-11)21(4)26(24,25)22(12)8-10-7-17(10,18)19/h5-6,9-10,13-14,23H,7-8H2,1-4H3
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| InChIKey |
XKZJGPAQRAEUDQ-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