General Information of the Compound
| Compound ID |
CP0534163
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| Compound Name |
4-[6-(2-Methoxy-ethoxy)-7-(2-piperidin-1-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C32H44N6O5
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| Molecular Weight |
592.741
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| Canonical SMILES |
COCCOc1cc2c(ncnc2cc1OCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C32H44N6O5/c1-24(2)43-26-9-7-25(8-10-26)35-32(39)38-15-13-37(14-16-38)31-27-21-29(42-20-19-40-3)30(22-28(27)33-23-34-31)41-18-17-36-11-5-4-6-12-36/h7-10,21-24H,4-6,11-20H2,1-3H3,(H,35,39)
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| InChIKey |
WOCIFWWPZLWINH-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