General Information of the Compound
| Compound ID |
CP0452567
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| Compound Name |
N'-[4-(naphthalen-1-ylsulfonylamino)butyl]-3,4-dihydro-1H-isoquinoline-2-carboximidamide
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| Structure |
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| Formula |
C24H28N4O2S
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| Molecular Weight |
436.581
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| Canonical SMILES |
NC(=NCCCCNS(=O)(=O)c1cccc2ccccc12)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C24H28N4O2S/c25-24(28-17-14-19-8-1-2-10-21(19)18-28)26-15-5-6-16-27-31(29,30)23-13-7-11-20-9-3-4-12-22(20)23/h1-4,7-13,27H,5-6,14-18H2,(H2,25,26)
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| InChIKey |
GDBBTMDOWJPPBU-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