General Information of the Compound
| Compound ID |
CP0380727
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid [4-(1H-indol-4-yloxy)-phenyl]-amide
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| Structure |
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| Formula |
C33H36N6O6
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| Molecular Weight |
612.687
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4cccc5[nH]ccc45)cc3)c2cc1OCCOC
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| InChI |
InChI=1S/C33H36N6O6/c1-41-16-18-43-30-20-26-28(21-31(30)44-19-17-42-2)35-22-36-32(26)38-12-14-39(15-13-38)33(40)37-23-6-8-24(9-7-23)45-29-5-3-4-27-25(29)10-11-34-27/h3-11,20-22,34H,12-19H2,1-2H3,(H,37,40)
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| InChIKey |
BMCBBFBTFYROKF-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