General Information of the Compound
| Compound ID |
CP0196254
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| Compound Name |
2-[(2-{[4-(dimethylamino)butyl]amino}benzene)sulfonamido]-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C23H31N3O4S
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| Molecular Weight |
445.585
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| Canonical SMILES |
CN(C)CCCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C23H31N3O4S/c1-26(2)16-8-7-15-24-19-11-5-6-12-21(19)31(29,30)25-20-14-13-17-9-3-4-10-18(17)22(20)23(27)28/h5-6,11-14,24-25H,3-4,7-10,15-16H2,1-2H3,(H,27,28)
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| InChIKey |
LOTDJSIGSZFYQP-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