General Information of the Compound
| Compound ID |
CP0534491
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| Compound Name |
4-{3-[((3R)-3- aminopiperidyl)carbonyl]-5-(2- pyridylmethoxy)pyrazolyl} benzenecarbonitrile
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| Structure |
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| Formula |
C22H22N6O2
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| Molecular Weight |
402.458
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| Canonical SMILES |
N[C@@H]1CCCN(C1)C(=O)c1cc(OCc2ccccn2)n(n1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H22N6O2/c23-13-16-6-8-19(9-7-16)28-21(30-15-18-5-1-2-10-25-18)12-20(26-28)22(29)27-11-3-4-17(24)14-27/h1-2,5-10,12,17H,3-4,11,14-15,24H2/t17-/m1/s1
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| InChIKey |
CFBCSWPEJOEMIS-QGZVFWFLSA-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