General Information of the Compound
| Compound ID |
CP0185598
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| Compound Name |
2-[(2-{[4-(diethylamino)butyl]carbamoyl}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C26H35N3O5S
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| Molecular Weight |
501.649
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| Canonical SMILES |
CCN(CC)CCCCNC(=O)c1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C26H35N3O5S/c1-3-29(4-2)18-10-9-17-27-25(30)21-13-7-8-14-23(21)35(33,34)28-22-16-15-19-11-5-6-12-20(19)24(22)26(31)32/h7-8,13-16,28H,3-6,9-12,17-18H2,1-2H3,(H,27,30)(H,31,32)
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| InChIKey |
YRLASUYPZHUUFG-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