General Information of the Compound
| Compound ID |
CP0494617
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| Compound Name |
4-[6-Methoxy-7-(2-morpholin-4-yl-ethoxy)-quinazolin-4-yl]-piperazine-1-carbothioic acid (5-methyl-pyrazin-2-ylmethyl)-amide
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| Structure |
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| Formula |
C26H34N8O3S
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| Molecular Weight |
538.678
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCN1CCOCC1)N1CCN(CC1)C(=S)NCc1cnc(C)cn1
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| InChI |
InChI=1S/C26H34N8O3S/c1-19-15-28-20(16-27-19)17-29-26(38)34-5-3-33(4-6-34)25-21-13-23(35-2)24(14-22(21)30-18-31-25)37-12-9-32-7-10-36-11-8-32/h13-16,18H,3-12,17H2,1-2H3,(H,29,38)
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| InChIKey |
URKTWKNEBOKMRA-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