General Information of the Compound
| Compound ID |
CP0406345
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid [4-(quinolin-5-yloxy)-phenyl]-amide
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| Structure |
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| Formula |
C34H36N6O6
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| Molecular Weight |
624.698
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4cccc5ncccc45)cc3)c2cc1OCCOC
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| InChI |
InChI=1S/C34H36N6O6/c1-42-17-19-44-31-21-27-29(22-32(31)45-20-18-43-2)36-23-37-33(27)39-13-15-40(16-14-39)34(41)38-24-8-10-25(11-9-24)46-30-7-3-6-28-26(30)5-4-12-35-28/h3-12,21-23H,13-20H2,1-2H3,(H,38,41)
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| InChIKey |
DFWUEYBFCSHHII-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