General Information of the Compound
| Compound ID |
CP0414931
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| Compound Name |
2,5-difluoro-4-(3-isoquinolin-6-ylmorpholin-2-yl)oxy-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
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| Structure |
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| Formula |
C21H17F2N5O4S2
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| Molecular Weight |
505.528
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| Canonical SMILES |
Fc1cc(c(F)cc1OC1OCCNC1c1ccc2cnccc2c1)S(=O)(=O)Nc1ncns1
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| InChI |
InChI=1S/C21H17F2N5O4S2/c22-15-9-18(34(29,30)28-21-26-11-27-33-21)16(23)8-17(15)32-20-19(25-5-6-31-20)13-1-2-14-10-24-4-3-12(14)7-13/h1-4,7-11,19-20,25H,5-6H2,(H,26,27,28)
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| InChIKey |
HHJSDZBCZVKEOD-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