General Information of the Compound
| Compound ID |
CP0274940
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| Compound Name |
2-{[2-({2-[1-(1-methylpiperidin-4-yl)pyrrolidin-2-yl]ethyl}amino)benzene]sulfonamido}-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C29H40N4O4S
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| Molecular Weight |
540.73
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| Canonical SMILES |
CN1CCC(CC1)N1CCCC1CCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C29H40N4O4S/c1-32-19-15-23(16-20-32)33-18-6-8-22(33)14-17-30-25-10-4-5-11-27(25)38(36,37)31-26-13-12-21-7-2-3-9-24(21)28(26)29(34)35/h4-5,10-13,22-23,30-31H,2-3,6-9,14-20H2,1H3,(H,34,35)
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| InChIKey |
AZWPJUJCAJYRBJ-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