General Information of the Compound
| Compound ID |
CP0313241
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| Compound Name |
2-[[1-cyclopentyl-5-(oxolan-3-yl)pyrazol-3-yl]amino]pyridine-4-carbonitrile
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| Structure |
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| Formula |
C18H21N5O
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| Molecular Weight |
323.4
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| Canonical SMILES |
N#Cc1ccnc(Nc2cc(C3CCOC3)n(n2)C2CCCC2)c1
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| InChI |
InChI=1S/C18H21N5O/c19-11-13-5-7-20-17(9-13)21-18-10-16(14-6-8-24-12-14)23(22-18)15-3-1-2-4-15/h5,7,9-10,14-15H,1-4,6,8,12H2,(H,20,21,22)
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| InChIKey |
ZBHXJFIKXIBKBY-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