General Information of the Compound
| Compound ID |
CP0449697
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C26H30N6O5
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| Molecular Weight |
506.563
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C#N)c2cc1OCCOC
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| InChI |
InChI=1S/C26H30N6O5/c1-34-11-13-36-23-15-21-22(16-24(23)37-14-12-35-2)28-18-29-25(21)31-7-9-32(10-8-31)26(33)30-20-5-3-19(17-27)4-6-20/h3-6,15-16,18H,7-14H2,1-2H3,(H,30,33)
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| InChIKey |
RLJWDEHNGNKLQP-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