General Information of the Compound
| Compound ID |
CP0547751
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| Compound Name |
4-(1-acetylpiperidin-4-yl)-N-(diaminomethylidene)-3-methylsulfonylbenzamide
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| Structure |
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| Formula |
C16H22N4O4S
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| Molecular Weight |
366.443
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| Canonical SMILES |
CC(=O)N1CCC(CC1)c1ccc(cc1S(C)(=O)=O)C(=O)NC(N)=N
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| InChI |
InChI=1S/C16H22N4O4S/c1-10(21)20-7-5-11(6-8-20)13-4-3-12(15(22)19-16(17)18)9-14(13)25(2,23)24/h3-4,9,11H,5-8H2,1-2H3,(H4,17,18,19,22)
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| InChIKey |
NIPIPCPRDLMPNU-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