General Information of the Compound
| Compound ID |
CP0509868
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| Compound Name |
US9067922, 228
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| Structure |
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| Formula |
C18H10ClF2N3O3S
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| Molecular Weight |
421.812
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| Canonical SMILES |
Fc1ccc(NS(=O)(=O)c2ccc(Oc3ccc(C#N)c(F)c3)c(Cl)c2)nc1
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| InChI |
InChI=1S/C18H10ClF2N3O3S/c19-15-8-14(28(25,26)24-18-6-2-12(20)10-23-18)4-5-17(15)27-13-3-1-11(9-22)16(21)7-13/h1-8,10H,(H,23,24)
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| InChIKey |
KTDCLNORTURMDZ-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