General Information of the Compound
| Compound ID |
CP0360729
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| Compound Name |
2-({2-[(1Z)-4-(diethylamino)but-1-en-1-yl]benzene}sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C25H32N2O4S
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| Molecular Weight |
456.608
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| Canonical SMILES |
CCN(CC)CC\C=C/c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C25H32N2O4S/c1-3-27(4-2)18-10-9-13-20-12-6-8-15-23(20)32(30,31)26-22-17-16-19-11-5-7-14-21(19)24(22)25(28)29/h6,8-9,12-13,15-17,26H,3-5,7,10-11,14,18H2,1-2H3,(H,28,29)/b13-9-
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| InChIKey |
DLHNFFSTMNJAOX-LCYFTJDESA-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