General Information of the Compound
| Compound ID |
CP0426086
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| Compound Name |
N-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C23H22N4O2S
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| Molecular Weight |
418.522
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| Canonical SMILES |
O=S(=O)(NCCNCc1ccc(cc1)-c1cccnc1)c1cccc2cnccc12
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| InChI |
InChI=1S/C23H22N4O2S/c28-30(29,23-5-1-3-21-17-25-12-10-22(21)23)27-14-13-26-15-18-6-8-19(9-7-18)20-4-2-11-24-16-20/h1-12,16-17,26-27H,13-15H2
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| InChIKey |
ACOBTYQKZVWDDT-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