General Information of the Compound
| Compound ID |
CP0174033
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| Compound Name |
1-(4-(3-(4-(3-chloro-6-methoxypyridin-2-ylamino)-5-isopropoxyquinazolin-7-yloxy)propyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C26H33ClN6O4
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| Molecular Weight |
529.041
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCN(CC4)C(C)=O)cc(OC(C)C)c23)n1
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| InChI |
InChI=1S/C26H33ClN6O4/c1-17(2)37-22-15-19(36-13-5-8-32-9-11-33(12-10-32)18(3)34)14-21-24(22)26(29-16-28-21)31-25-20(27)6-7-23(30-25)35-4/h6-7,14-17H,5,8-13H2,1-4H3,(H,28,29,30,31)
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| InChIKey |
AQEIGFROUMAUCQ-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