General Information of the Compound
| Compound ID |
CP0533761
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| Compound Name |
N-[2-[2-(4-pyridin-3-ylphenyl)ethylamino]ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C24H24N4O2S
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| Molecular Weight |
432.549
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| Canonical SMILES |
O=S(=O)(NCCNCCc1ccc(cc1)-c1cccnc1)c1cccc2cnccc12
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| InChI |
InChI=1S/C24H24N4O2S/c29-31(30,24-5-1-3-22-18-27-14-11-23(22)24)28-16-15-25-13-10-19-6-8-20(9-7-19)21-4-2-12-26-17-21/h1-9,11-12,14,17-18,25,28H,10,13,15-16H2
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| InChIKey |
WSIKRQWUOAHLHX-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