General Information of the Compound
| Compound ID |
CP0461058
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| Compound Name |
4-(3-Ethyl-pyridin-2-yl)-piperazine-1-carboxylic acid (4-isopropyl-phenyl)-amide
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| Structure |
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
CCc1cccnc1N1CCN(CC1)C(=O)Nc1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C21H28N4O/c1-4-17-6-5-11-22-20(17)24-12-14-25(15-13-24)21(26)23-19-9-7-18(8-10-19)16(2)3/h5-11,16H,4,12-15H2,1-3H3,(H,23,26)
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| InChIKey |
SVPOUDMQXLHKRC-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