General Information of the Compound
| Compound ID |
CP0410698
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| Compound Name |
[3-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]pyrrolidin-1-yl]-(2-methyl-5-propan-2-ylpyrazol-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(C(=O)N2CCC(C2)c2cc(cc(C)n2)-c2cnn(C)c2)n(C)n1
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| InChI |
InChI=1S/C22H28N6O/c1-14(2)19-10-21(27(5)25-19)22(29)28-7-6-16(13-28)20-9-17(8-15(3)24-20)18-11-23-26(4)12-18/h8-12,14,16H,6-7,13H2,1-5H3
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| InChIKey |
CLOYPEOSPLNILY-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