General Information of the Compound
| Compound ID |
CP0408338
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| Compound Name |
N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]isoquinoline-4-sulfonamide
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| Structure |
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| Formula |
C23H27N3O4S
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| Molecular Weight |
441.553
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| Canonical SMILES |
COc1ccccc1OCCN1CCC(CC1)NS(=O)(=O)c1cncc2ccccc12
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| InChI |
InChI=1S/C23H27N3O4S/c1-29-21-8-4-5-9-22(21)30-15-14-26-12-10-19(11-13-26)25-31(27,28)23-17-24-16-18-6-2-3-7-20(18)23/h2-9,16-17,19,25H,10-15H2,1H3
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| InChIKey |
HBRGRVUSDCCMEP-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