General Information of the Compound
| Compound ID |
CP0850005
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| Compound Name |
1-Methyl-1H-imidazole-4-sulfonic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide
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| Structure |
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| Formula |
C16H23N5O3S
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| Molecular Weight |
365.459
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| Canonical SMILES |
COc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1N1CCN(C)CC1
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| InChI |
InChI=1S/C16H23N5O3S/c1-19-6-8-21(9-7-19)14-10-13(4-5-15(14)24-3)18-25(22,23)16-11-20(2)12-17-16/h4-5,10-12,18H,6-9H2,1-3H3
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| InChIKey |
WPXAKOKXJWQZFU-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