General Information of the Compound
| Compound ID |
CP0431634
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| Compound Name |
4-[6-Methoxy-7-(3-piperidin-1-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C29H35N7O3
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| Molecular Weight |
529.645
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCCCC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C29H35N7O3/c1-38-26-18-24-25(19-27(26)39-17-5-12-34-10-3-2-4-11-34)31-21-32-28(24)35-13-15-36(16-14-35)29(37)33-23-8-6-22(20-30)7-9-23/h6-9,18-19,21H,2-5,10-17H2,1H3,(H,33,37)
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| InChIKey |
AZGVWHZPJQNGGN-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