General Information of the Compound
| Compound ID |
CP0530061
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| Compound Name |
N-[2-[methyl-[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
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| Structure |
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| Formula |
C26H26N4O2S
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| Molecular Weight |
458.587
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| Canonical SMILES |
CN(CCNS(=O)(=O)c1cccc2cnccc12)C\C=C\c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C26H26N4O2S/c1-30(17-4-5-21-9-11-22(12-10-21)23-7-3-14-27-19-23)18-16-29-33(31,32)26-8-2-6-24-20-28-15-13-25(24)26/h2-15,19-20,29H,16-18H2,1H3/b5-4+
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| InChIKey |
NVYBSSPXDBPSKK-SNAWJCMRSA-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