General Information of the Compound
| Compound ID |
CP0433504
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| Compound Name |
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C22H24N4O3S
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| Molecular Weight |
424.526
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| Canonical SMILES |
O=C(CCNS(=O)(=O)c1cccc2cnccc12)N1CCN(CC1)c1ccccc1
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| InChI |
InChI=1S/C22H24N4O3S/c27-22(26-15-13-25(14-16-26)19-6-2-1-3-7-19)10-12-24-30(28,29)21-8-4-5-18-17-23-11-9-20(18)21/h1-9,11,17,24H,10,12-16H2
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| InChIKey |
QUTUNUKDKIGTMT-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