General Information of the Compound
| Compound ID |
CP0494618
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| Compound Name |
4-[6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (4-bromo-phenyl)-amide
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| Structure |
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| Formula |
C26H31BrN6O3S
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| Molecular Weight |
587.544
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCOCC1)N1CCN(CC1)C(=S)Nc1ccc(Br)cc1
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| InChI |
InChI=1S/C26H31BrN6O3S/c1-34-23-16-21-22(17-24(23)36-15-12-31-10-13-35-14-11-31)28-18-29-25(21)32-6-8-33(9-7-32)26(37)30-20-4-2-19(27)3-5-20/h2-5,16-18H,6-15H2,1H3,(H,30,37)
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| InChIKey |
XFBLGLIGJLWPKT-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