General Information of the Compound
| Compound ID |
CP0178750
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| Compound Name |
1-(4-(2-(4-(3-chloro-6-methoxypyridin-2-ylamino)-5-isopropoxyquinazolin-7-yloxy)ethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C25H31ClN6O4
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| Molecular Weight |
515.014
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cc(OCCN4CCN(CC4)C(C)=O)cc(OC(C)C)c23)n1
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| InChI |
InChI=1S/C25H31ClN6O4/c1-16(2)36-21-14-18(35-12-11-31-7-9-32(10-8-31)17(3)33)13-20-23(21)25(28-15-27-20)30-24-19(26)5-6-22(29-24)34-4/h5-6,13-16H,7-12H2,1-4H3,(H,27,28,29,30)
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| InChIKey |
GEPQBTPKIOBUQF-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