General Information of the Compound
| Compound ID |
CP0897847
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| Compound Name |
N-(3,4-dimethoxyphenethyl)-2-(4-cyano-N-(2-ethylphenyl)phenylsulfonamido)acetamide
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| Structure |
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| Formula |
C27H29N3O5S
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| Molecular Weight |
507.612
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| Canonical SMILES |
CCc1ccccc1N(CC(=O)NCCc1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C#N)cc1
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| InChI |
InChI=1S/C27H29N3O5S/c1-4-22-7-5-6-8-24(22)30(36(32,33)23-12-9-21(18-28)10-13-23)19-27(31)29-16-15-20-11-14-25(34-2)26(17-20)35-3/h5-14,17H,4,15-16,19H2,1-3H3,(H,29,31)
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| InChIKey |
KHWMAHOPVFPANM-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