General Information of the Compound
| Compound ID |
CP0441566
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| Compound Name |
4-[7-(2-Methoxy-ethoxy)-6-(2-morpholin-4-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C31H42N6O6
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| Molecular Weight |
594.713
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(OC(C)C)cc3)c2cc1OCCN1CCOCC1
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| InChI |
InChI=1S/C31H42N6O6/c1-23(2)43-25-6-4-24(5-7-25)34-31(38)37-10-8-36(9-11-37)30-26-20-28(41-17-14-35-12-15-40-16-13-35)29(42-19-18-39-3)21-27(26)32-22-33-30/h4-7,20-23H,8-19H2,1-3H3,(H,34,38)
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| InChIKey |
SMTGPWYIMAZLPQ-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