General Information of the Compound
| Compound ID |
CP0395999
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| Compound Name |
2-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole
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| Structure |
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| Formula |
C19H21N5O5S
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| Molecular Weight |
431.474
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| Canonical SMILES |
COc1ccc(cc1[N+]([O-])=O)S(=O)(=O)N1CCN(CC1)c1nc2ccccc2n1C
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| InChI |
InChI=1S/C19H21N5O5S/c1-21-16-6-4-3-5-15(16)20-19(21)22-9-11-23(12-10-22)30(27,28)14-7-8-18(29-2)17(13-14)24(25)26/h3-8,13H,9-12H2,1-2H3
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| InChIKey |
WRPQRARHHFKWEG-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