General Information of the Compound
| Compound ID |
CP0377636
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| Compound Name |
3-[(6-nitro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]benzoic acid
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| Structure |
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| Formula |
C16H14N2O6S
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| Molecular Weight |
362.363
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| Canonical SMILES |
OC(=O)c1cccc(c1)S(=O)(=O)N1CCc2cc(ccc2C1)[N+]([O-])=O
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| InChI |
InChI=1S/C16H14N2O6S/c19-16(20)12-2-1-3-15(9-12)25(23,24)17-7-6-11-8-14(18(21)22)5-4-13(11)10-17/h1-5,8-9H,6-7,10H2,(H,19,20)
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| InChIKey |
NTTNACNLPVGXMR-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