General Information of the Compound
| Compound ID |
CP0532286
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| Compound Name |
2-[1-(cyclopropylmethyl)-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
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| Formula |
C22H23N9
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| Molecular Weight |
413.489
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| Canonical SMILES |
Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)C1(CC#N)CN(CC2CC2)C1
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| InChI |
InChI=1S/C22H23N9/c1-28-11-17(8-25-28)19-13-30-20(4-7-24-30)21(27-19)18-9-26-31(12-18)22(5-6-23)14-29(15-22)10-16-2-3-16/h4,7-9,11-13,16H,2-3,5,10,14-15H2,1H3
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| InChIKey |
QFBYABPLOBJITK-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