General Information of the Compound
| Compound ID |
CP0427665
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| Compound Name |
4-methoxy-benzoic acid 2-diethylaminomethyl-4-(1,1-dioxo-1H-1lambda6-benzo[d]isothiazol-3-ylamino)-phenyl ester
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| Structure |
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| Formula |
C26H27N3O5S
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| Molecular Weight |
493.585
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| Canonical SMILES |
CCN(CC)Cc1cc(ccc1OC(=O)c1ccc(OC)cc1)N=C1NS(=O)(=O)c2ccccc12
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| InChI |
InChI=1S/C26H27N3O5S/c1-4-29(5-2)17-19-16-20(27-25-22-8-6-7-9-24(22)35(31,32)28-25)12-15-23(19)34-26(30)18-10-13-21(33-3)14-11-18/h6-16H,4-5,17H2,1-3H3,(H,27,28)
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| InChIKey |
QAVXVZMEFFAVMG-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