General Information of the Compound
| Compound ID |
CP0404663
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C31H35N5O6
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| Molecular Weight |
573.65
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccccc4)cc3)c2cc1OCCOC
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| InChI |
InChI=1S/C31H35N5O6/c1-38-16-18-40-28-20-26-27(21-29(28)41-19-17-39-2)32-22-33-30(26)35-12-14-36(15-13-35)31(37)34-23-8-10-25(11-9-23)42-24-6-4-3-5-7-24/h3-11,20-22H,12-19H2,1-2H3,(H,34,37)
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| InChIKey |
UDXGWXKIXRVGSP-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