General Information of the Compound
| Compound ID |
CP0536770
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C28H37N5O6
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| Molecular Weight |
539.633
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(OC(C)C)cc3)c2cc1OCCOC
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| InChI |
InChI=1S/C28H37N5O6/c1-20(2)39-22-7-5-21(6-8-22)31-28(34)33-11-9-32(10-12-33)27-23-17-25(37-15-13-35-3)26(38-16-14-36-4)18-24(23)29-19-30-27/h5-8,17-20H,9-16H2,1-4H3,(H,31,34)
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| InChIKey |
XLPRFHHHAVYDKP-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