General Information of the Compound
| Compound ID |
CP0431177
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| Compound Name |
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C21H22N4O3S
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| Molecular Weight |
410.499
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| Canonical SMILES |
O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C21H22N4O3S/c26-21(25-13-11-24(12-14-25)18-6-2-1-3-7-18)16-23-29(27,28)20-8-4-5-17-15-22-10-9-19(17)20/h1-10,15,23H,11-14,16H2
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| InChIKey |
RDIPIYBFGYTNCX-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