General Information of the Compound
| Compound ID |
CP0426085
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| Compound Name |
N-[6-(4-pyridin-3-ylphenyl)hexyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C26H27N3O2S
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| Molecular Weight |
445.588
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| Canonical SMILES |
O=S(=O)(NCCCCCCc1ccc(cc1)-c1cccnc1)c1cccc2cnccc12
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| InChI |
InChI=1S/C26H27N3O2S/c30-32(31,26-10-5-8-24-20-28-18-15-25(24)26)29-17-4-2-1-3-7-21-11-13-22(14-12-21)23-9-6-16-27-19-23/h5-6,8-16,18-20,29H,1-4,7,17H2
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| InChIKey |
GVZXHUNENCDPEJ-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