General Information of the Compound
| Compound ID |
CP0414100
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| Compound Name |
[3-[3-methyl-5-(1-methylpyrazol-4-yl)phenyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
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| Structure |
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| Formula |
C22H27N5O
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| Molecular Weight |
377.492
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| Canonical SMILES |
CC(C)c1cc([nH]n1)C(=O)N1CCC(C1)c1cc(C)cc(c1)-c1cnn(C)c1
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| InChI |
InChI=1S/C22H27N5O/c1-14(2)20-10-21(25-24-20)22(28)27-6-5-16(13-27)17-7-15(3)8-18(9-17)19-11-23-26(4)12-19/h7-12,14,16H,5-6,13H2,1-4H3,(H,24,25)
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| InChIKey |
LJHOOLBPFCTVGI-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