General Information of the Compound
| Compound ID |
CP0410696
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| Compound Name |
2-methyl-4-(1-methylpyrazol-4-yl)-6-[1-[(5-propan-2-yl-1H-pyrazol-3-yl)sulfonyl]pyrrolidin-3-yl]pyridine
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| Structure |
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| Formula |
C20H26N6O2S
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| Molecular Weight |
414.535
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| Canonical SMILES |
CC(C)c1cc([nH]n1)S(=O)(=O)N1CCC(C1)c1cc(cc(C)n1)-c1cnn(C)c1
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| InChI |
InChI=1S/C20H26N6O2S/c1-13(2)18-9-20(24-23-18)29(27,28)26-6-5-15(12-26)19-8-16(7-14(3)22-19)17-10-21-25(4)11-17/h7-11,13,15H,5-6,12H2,1-4H3,(H,23,24)
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| InChIKey |
RHVGGGVCGMQTKZ-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