General Information of the Compound
| Compound ID |
CP0553241
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| Compound Name |
N-[2-[4-(2,5-difluorophenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C21H20F2N4O3S
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| Molecular Weight |
446.479
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| Canonical SMILES |
Fc1ccc(F)c(c1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
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| InChI |
InChI=1S/C21H20F2N4O3S/c22-16-4-5-18(23)19(12-16)26-8-10-27(11-9-26)21(28)14-25-31(29,30)20-3-1-2-15-13-24-7-6-17(15)20/h1-7,12-13,25H,8-11,14H2
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| InChIKey |
DKGKKZAFPTZKEH-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