General Information of the Compound
| Compound ID |
CP0439755
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| Compound Name |
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]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(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C22H24N4O3S/c27-22(26-13-11-25(12-14-26)17-18-5-2-1-3-6-18)16-24-30(28,29)21-8-4-7-19-15-23-10-9-20(19)21/h1-10,15,24H,11-14,16-17H2
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| InChIKey |
SAPUBVHAQHYHTM-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