General Information of the Compound
| Compound ID |
CP0546902
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| Compound Name |
N-(1-tert-butyl-3-naphthalen-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)-2-chloro-N-methylacetamide
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| Formula |
C22H22ClN5O
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| Molecular Weight |
407.905
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| Canonical SMILES |
CN(C(=O)CCl)c1ncnc2n(nc(-c3ccc4ccccc4c3)c12)C(C)(C)C
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| InChI |
InChI=1S/C22H22ClN5O/c1-22(2,3)28-21-18(20(24-13-25-21)27(4)17(29)12-23)19(26-28)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,13H,12H2,1-4H3
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| InChIKey |
XBGAXULQEFFGNZ-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