General Information of the Compound
| Compound ID |
CP0413640
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| Compound Name |
US9422235, 51
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| Structure |
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| Formula |
C18H19ClF3N3O3S
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| Molecular Weight |
449.882
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| Canonical SMILES |
FC(F)(F)c1cc(Nc2cccnc2Cl)ccc1S(=O)(=O)NCC1CCOCC1
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| InChI |
InChI=1S/C18H19ClF3N3O3S/c19-17-15(2-1-7-23-17)25-13-3-4-16(14(10-13)18(20,21)22)29(26,27)24-11-12-5-8-28-9-6-12/h1-4,7,10,12,24-25H,5-6,8-9,11H2
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| InChIKey |
NNJRMZZJXWBCKM-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