General Information of the Compound
| Compound ID |
CP0553242
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| Compound Name |
N-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C22H21F3N4O3S
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| Molecular Weight |
478.496
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
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| InChI |
InChI=1S/C22H21F3N4O3S/c23-22(24,25)17-4-6-18(7-5-17)28-10-12-29(13-11-28)21(30)15-27-33(31,32)20-3-1-2-16-14-26-9-8-19(16)20/h1-9,14,27H,10-13,15H2
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| InChIKey |
IBEUGVCTZGDHHG-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