General Information of the Compound
| Compound ID |
CP0483985
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| Compound Name |
[6-(methylamino)pyridazin-4-yl]-[3-(3-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
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| Structure |
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| Formula |
C20H23N5O
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| Molecular Weight |
349.438
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| Canonical SMILES |
CNc1cc(cnn1)C(=O)N1CCCC(C1)c1[nH]c2ccccc2c1C
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| InChI |
InChI=1S/C20H23N5O/c1-13-16-7-3-4-8-17(16)23-19(13)14-6-5-9-25(12-14)20(26)15-10-18(21-2)24-22-11-15/h3-4,7-8,10-11,14,23H,5-6,9,12H2,1-2H3,(H,21,24)
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| InChIKey |
AMUUGXAENFXABO-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