General Information of the Compound
| Compound ID |
CP0406303
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| Compound Name |
4-[6,7-Bis-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-tert-butyl-phenyl)-amide
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| Structure |
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| Formula |
C29H39N5O5
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| Molecular Weight |
537.661
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(cc3)C(C)(C)C)c2cc1OCCOC
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| InChI |
InChI=1S/C29H39N5O5/c1-29(2,3)21-6-8-22(9-7-21)32-28(35)34-12-10-33(11-13-34)27-23-18-25(38-16-14-36-4)26(39-17-15-37-5)19-24(23)30-20-31-27/h6-9,18-20H,10-17H2,1-5H3,(H,32,35)
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| InChIKey |
VUPVZTSBVJMKOY-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