General Information of the Compound
| Compound ID |
CP0561138
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| Compound Name |
3-oxo-N-[2-[[(E)-3-(4-pyridin-3-ylphenyl)prop-2-enyl]amino]ethyl]-1,2-dihydroisoindole-5-sulfonamide
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| Structure |
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| Formula |
C24H24N4O3S
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| Molecular Weight |
448.548
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| Canonical SMILES |
O=C1NCc2ccc(cc12)S(=O)(=O)NCCNC\C=C\c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C24H24N4O3S/c29-24-23-15-22(10-9-21(23)17-27-24)32(30,31)28-14-13-25-11-1-3-18-5-7-19(8-6-18)20-4-2-12-26-16-20/h1-10,12,15-16,25,28H,11,13-14,17H2,(H,27,29)/b3-1+
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| InChIKey |
AHWOMMKQMXPJNV-HNQUOIGGSA-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