General Information of the Compound
| Compound ID |
CP0034767
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| Compound Name |
2-({2-[(3-aminopropyl)amino]benzene}sulfonamido)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
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| Structure |
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| Formula |
C20H25N3O4S
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| Molecular Weight |
403.504
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| Canonical SMILES |
NCCCNc1ccccc1S(=O)(=O)Nc1ccc2CCCCc2c1C(O)=O
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| InChI |
InChI=1S/C20H25N3O4S/c21-12-5-13-22-16-8-3-4-9-18(16)28(26,27)23-17-11-10-14-6-1-2-7-15(14)19(17)20(24)25/h3-4,8-11,22-23H,1-2,5-7,12-13,21H2,(H,24,25)
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| InChIKey |
NDGAVXCYJLOILK-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