General Information of the Compound
| Compound ID |
CP0418193
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| Compound Name |
2-(4-(4-(4-fluorophenylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)piperazin-1-yl)ethanol
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| Structure |
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| Formula |
C18H22FN7O
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| Molecular Weight |
371.42
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| Canonical SMILES |
Cn1ncc2c(Nc3ccc(F)cc3)nc(nc12)N1CCN(CCO)CC1
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| InChI |
InChI=1S/C18H22FN7O/c1-24-17-15(12-20-24)16(21-14-4-2-13(19)3-5-14)22-18(23-17)26-8-6-25(7-9-26)10-11-27/h2-5,12,27H,6-11H2,1H3,(H,21,22,23)
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| InChIKey |
OTEUKYNSKQIOSV-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