General Information of the Compound
| Compound ID |
CP0433499
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| Compound Name |
N-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C22H23ClN4O3S
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| Molecular Weight |
458.971
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| Canonical SMILES |
Clc1ccc(CN2CCN(CC2)C(=O)CNS(=O)(=O)c2cccc3cnccc23)cc1
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| InChI |
InChI=1S/C22H23ClN4O3S/c23-19-6-4-17(5-7-19)16-26-10-12-27(13-11-26)22(28)15-25-31(29,30)21-3-1-2-18-14-24-9-8-20(18)21/h1-9,14,25H,10-13,15-16H2
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| InChIKey |
ULMNKFMCEDGIDJ-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