General Information of the Compound
| Compound ID |
CP0389827
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| Compound Name |
7-(2-(1-(4-cyclohexylbutyl)-3-(4-(trifluoromethylthio)phenyl)ureido)ethyl)-2-methyl-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylic acid
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| Structure |
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| Formula |
C30H37F3N2O5S
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| Molecular Weight |
594.696
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| Canonical SMILES |
CC1(COc2ccc(CCN(CCCCC3CCCCC3)C(=O)Nc3ccc(SC(F)(F)F)cc3)cc2O1)C(O)=O
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| InChI |
InChI=1S/C30H37F3N2O5S/c1-29(27(36)37)20-39-25-15-10-22(19-26(25)40-29)16-18-35(17-6-5-9-21-7-3-2-4-8-21)28(38)34-23-11-13-24(14-12-23)41-30(31,32)33/h10-15,19,21H,2-9,16-18,20H2,1H3,(H,34,38)(H,36,37)
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| InChIKey |
VSQGNRJKUUSSJA-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