General Information of the Compound
| Compound ID |
CP0508421
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| Compound Name |
4-[3-[5-(4-ethylphenyl)-1-methylpyrazol-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C22H25N7O
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| Molecular Weight |
403.49
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| Canonical SMILES |
CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCOCC3)c12
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| InChI |
InChI=1S/C22H25N7O/c1-4-15-5-7-16(8-6-15)20-17(13-25-27(20)2)19-18-21(28(3)26-19)23-14-24-22(18)29-9-11-30-12-10-29/h5-8,13-14H,4,9-12H2,1-3H3
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| InChIKey |
WYILHTZOUQRBDV-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