General Information of the Compound
| Compound ID |
CP0210924
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| Compound Name |
(1-methylcyclopropyl) 4-[5-cyano-4-[(4-cyano-2-fluorophenoxy)methyl]pyrazol-1-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C22H22FN5O3
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| Molecular Weight |
423.448
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| Canonical SMILES |
CC1(CC1)OC(=O)N1CCC(CC1)n1ncc(COc2ccc(cc2F)C#N)c1C#N
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| InChI |
InChI=1S/C22H22FN5O3/c1-22(6-7-22)31-21(29)27-8-4-17(5-9-27)28-19(12-25)16(13-26-28)14-30-20-3-2-15(11-24)10-18(20)23/h2-3,10,13,17H,4-9,14H2,1H3
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| InChIKey |
SVMYAXGNZKJUKV-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