General Information of the Compound
| Compound ID |
CP0455018
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| Compound Name |
4-[6-Methoxy-7-(3-[1,2,3]triazol-2-yl-propoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-cyano-phenyl)-amide
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| Structure |
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| Formula |
C26H27N9O3
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| Molecular Weight |
513.562
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCn1nccn1)N1CCN(CC1)C(=O)Nc1ccc(cc1)C#N
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| InChI |
InChI=1S/C26H27N9O3/c1-37-23-15-21-22(16-24(23)38-14-2-9-35-30-7-8-31-35)28-18-29-25(21)33-10-12-34(13-11-33)26(36)32-20-5-3-19(17-27)4-6-20/h3-8,15-16,18H,2,9-14H2,1H3,(H,32,36)
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| InChIKey |
ZBNSUPBFZXUCCX-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