General Information of the Compound
| Compound ID |
CP0442051
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| Compound Name |
4-{6-Methoxy-7-[2-(4-oxo-piperidin-1-yl)-ethoxy]-quinazolin-4-yl}-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C28H31N7O4
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| Molecular Weight |
529.601
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCC(=O)CC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C28H31N7O4/c1-38-25-16-23-24(17-26(25)39-15-14-33-8-6-22(36)7-9-33)30-19-31-27(23)34-10-12-35(13-11-34)28(37)32-21-4-2-20(18-29)3-5-21/h2-5,16-17,19H,6-15H2,1H3,(H,32,37)
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| InChIKey |
YLQKOPPUCGGIGD-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