General Information of the Compound
| Compound ID |
CP0345783
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| Compound Name |
2-[[1-(3,3-difluorocyclopentyl)-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 |
C22H26F2N6O
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| Molecular Weight |
428.487
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| Canonical SMILES |
FC1(F)CCC(C1)n1nc(Nc2cc(ccn2)C#N)cc1C1CCN(CC1)C1COC1
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| InChI |
InChI=1S/C22H26F2N6O/c23-22(24)5-1-17(11-22)30-19(16-3-7-29(8-4-16)18-13-31-14-18)10-21(28-30)27-20-9-15(12-25)2-6-26-20/h2,6,9-10,16-18H,1,3-5,7-8,11,13-14H2,(H,26,27,28)
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| InChIKey |
YRPUWZXFERSRBH-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