General Information of the Compound
| Compound ID |
CP0455024
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| Compound Name |
3-[(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid
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| Structure |
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| Formula |
C16H14ClNO4S
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| Molecular Weight |
351.811
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| Canonical SMILES |
OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cccc(Cl)c2C1
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| InChI |
InChI=1S/C16H14ClNO4S/c17-15-6-2-3-11-7-8-18(10-14(11)15)23(21,22)13-5-1-4-12(9-13)16(19)20/h1-6,9H,7-8,10H2,(H,19,20)
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| InChIKey |
OTFBILORZXOOKD-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