General Information of the Compound
| Compound ID |
CP0511894
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| Compound Name |
4-tert-butyl-N-[[2-ethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]methyl]benzamide
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| Structure |
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| Formula |
C26H28N4O
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| Molecular Weight |
412.537
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| Canonical SMILES |
CCc1cc(ccc1CNC(=O)c1ccc(cc1)C(C)(C)C)-c1ncnc2[nH]ccc12
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| InChI |
InChI=1S/C26H28N4O/c1-5-17-14-19(23-22-12-13-27-24(22)30-16-29-23)6-7-20(17)15-28-25(31)18-8-10-21(11-9-18)26(2,3)4/h6-14,16H,5,15H2,1-4H3,(H,28,31)(H,27,29,30)
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| InChIKey |
HLMXUJQCTXEWMA-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