General Information of the Compound
| Compound ID |
CP0336676
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| Compound Name |
N-(2-methylquinolin-8-yl)-2-nitro-4-(trifluoromethyl)benzenesulfonamide
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| Structure |
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| Formula |
C17H12F3N3O4S
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| Molecular Weight |
411.361
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| Canonical SMILES |
Cc1ccc2cccc(NS(=O)(=O)c3ccc(cc3[N+]([O-])=O)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C17H12F3N3O4S/c1-10-5-6-11-3-2-4-13(16(11)21-10)22-28(26,27)15-8-7-12(17(18,19)20)9-14(15)23(24)25/h2-9,22H,1H3
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| InChIKey |
MZDNYCYPYVLIBI-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