General Information of the Compound
| Compound ID |
CP0379077
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| Compound Name |
N-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C23H24N4O4S
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| Molecular Weight |
452.536
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| Canonical SMILES |
CC(=O)c1ccc(cc1)N1CCN(CC1)C(=O)CNS(=O)(=O)c1cccc2cnccc12
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| InChI |
InChI=1S/C23H24N4O4S/c1-17(28)18-5-7-20(8-6-18)26-11-13-27(14-12-26)23(29)16-25-32(30,31)22-4-2-3-19-15-24-10-9-21(19)22/h2-10,15,25H,11-14,16H2,1H3
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| InChIKey |
MLSICGLJLCOIEO-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