General Information of the Compound
| Compound ID |
CP0135259
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| Compound Name |
1-(4-(2-(4-(5-chloro-2-methoxypyrimidin-4-ylamino)-5-isopropoxyquinazolin-7-yloxy)ethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C24H30ClN7O4
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| Molecular Weight |
516.002
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| Canonical SMILES |
COc1ncc(Cl)c(Nc2ncnc3cc(OCCN4CCN(CC4)C(C)=O)cc(OC(C)C)c23)n1
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| InChI |
InChI=1S/C24H30ClN7O4/c1-15(2)36-20-12-17(35-10-9-31-5-7-32(8-6-31)16(3)33)11-19-21(20)23(28-14-27-19)29-22-18(25)13-26-24(30-22)34-4/h11-15H,5-10H2,1-4H3,(H,26,27,28,29,30)
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| InChIKey |
IJBLEYQIRUDPCO-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