General Information of the Compound
| Compound ID |
CP0206891
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| Compound Name |
2-[[1-(cyclobutylmethyl)-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C22H28N6O
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| Molecular Weight |
392.507
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| Canonical SMILES |
N#Cc1ccnc(Nc2cc(C3CCN(CC3)C3COC3)n(CC3CCC3)n2)c1
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| InChI |
InChI=1S/C22H28N6O/c23-12-17-4-7-24-21(10-17)25-22-11-20(28(26-22)13-16-2-1-3-16)18-5-8-27(9-6-18)19-14-29-15-19/h4,7,10-11,16,18-19H,1-3,5-6,8-9,13-15H2,(H,24,25,26)
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| InChIKey |
KOFKETXAQRCNNS-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