General Information of the Compound
| Compound ID |
CP0527360
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| Compound Name |
US9346798, 12
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| Structure |
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| Formula |
C19H15ClF3N3O3S2
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| Molecular Weight |
489.928
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| Canonical SMILES |
Cc1cnc(NS(=O)(=O)c2ccc3N(CCOc3c2)c2ccc(cc2Cl)C(F)(F)F)s1
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| InChI |
InChI=1S/C19H15ClF3N3O3S2/c1-11-10-24-18(30-11)25-31(27,28)13-3-5-16-17(9-13)29-7-6-26(16)15-4-2-12(8-14(15)20)19(21,22)23/h2-5,8-10H,6-7H2,1H3,(H,24,25)
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| InChIKey |
QAXMZLLPTWVHQQ-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