General Information of the Compound
| Compound ID |
CP0551661
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| Compound Name |
[4-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
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| Structure |
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| Formula |
C22H28N6O
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| Molecular Weight |
392.507
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(CC1)c1cc(cc(C)n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H28N6O/c1-14(2)19-11-21(26-25-19)22(29)28-7-5-16(6-8-28)20-10-17(9-15(3)24-20)18-12-23-27(4)13-18/h9-14,16H,5-8H2,1-4H3,(H,25,26)
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| InChIKey |
JXNUICKRECBFNP-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