General Information of the Compound
| Compound ID |
CP0468596
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| Compound Name |
4-((N-benzyl-4-ethoxyphenylsulfonamido)methyl)-N-(cyclopropylmethyl)benzamide
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| Structure |
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| Formula |
C27H30N2O4S
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| Molecular Weight |
478.614
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| Canonical SMILES |
CCOc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)Cc1ccc(cc1)C(=O)NCC1CC1
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| InChI |
InChI=1S/C27H30N2O4S/c1-2-33-25-14-16-26(17-15-25)34(31,32)29(19-22-6-4-3-5-7-22)20-23-10-12-24(13-11-23)27(30)28-18-21-8-9-21/h3-7,10-17,21H,2,8-9,18-20H2,1H3,(H,28,30)
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| InChIKey |
HWRUCHWFOZUVDF-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