General Information of the Compound
| Compound ID |
CP0478564
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| Compound Name |
4-[2-[(5-chloro-2-methoxyphenyl)methyl-prop-2-enylamino]ethyl]-N-prop-2-ynylbenzenesulfonamide
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| Structure |
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| Formula |
C22H25ClN2O3S
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| Molecular Weight |
432.973
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| Canonical SMILES |
COc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)CC=C
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| InChI |
InChI=1S/C22H25ClN2O3S/c1-4-13-24-29(26,27)21-9-6-18(7-10-21)12-15-25(14-5-2)17-19-16-20(23)8-11-22(19)28-3/h1,5-11,16,24H,2,12-15,17H2,3H3
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| InChIKey |
BDOMMIWAWYWOGC-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