General Information of the Compound
| Compound ID |
CP0252750
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| Compound Name |
2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)pyrrolidin-3-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C21H26N6O
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| Molecular Weight |
378.48
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| Canonical SMILES |
N#Cc1ccnc(Nc2cc(C3CCN(C3)C3COC3)n(n2)C2CCCC2)c1
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| InChI |
InChI=1S/C21H26N6O/c22-11-15-5-7-23-20(9-15)24-21-10-19(27(25-21)17-3-1-2-4-17)16-6-8-26(12-16)18-13-28-14-18/h5,7,9-10,16-18H,1-4,6,8,12-14H2,(H,23,24,25)
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| InChIKey |
HPCAFTNDPHAAGH-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