General Information of the Compound
| Compound ID |
CP0457104
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| Compound Name |
4-[6-Methoxy-7-(3-morpholin-4-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C28H33N7O4
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| Molecular Weight |
531.617
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCN1CCOCC1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C28H33N7O4/c1-37-25-17-23-24(18-26(25)39-14-2-7-33-12-15-38-16-13-33)30-20-31-27(23)34-8-10-35(11-9-34)28(36)32-22-5-3-21(19-29)4-6-22/h3-6,17-18,20H,2,7-16H2,1H3,(H,32,36)
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| InChIKey |
ZRCLLIDFMWBFFK-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