General Information of the Compound
| Compound ID |
CP0558619
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| Compound Name |
2-methyl-4-(1-methylpyrazol-4-yl)-6-[1-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]pyrrolidin-3-yl]pyridine
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| Structure |
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| Formula |
C21H28N6
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| Molecular Weight |
364.497
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| Canonical SMILES |
CC(C)c1cc(CN2CCC(C2)c2cc(cc(C)n2)-c2cnn(C)c2)[nH]n1
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| InChI |
InChI=1S/C21H28N6/c1-14(2)20-9-19(24-25-20)13-27-6-5-16(12-27)21-8-17(7-15(3)23-21)18-10-22-26(4)11-18/h7-11,14,16H,5-6,12-13H2,1-4H3,(H,24,25)
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| InChIKey |
UUDIYABFMNMWRN-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