General Information of the Compound
| Compound ID |
CP0302966
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| Compound Name |
N-(3-chloro-6-methoxypyridin-2-yl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-propan-2-yloxyquinazolin-4-amine
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| Structure |
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| Formula |
C25H33ClN6O3
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| Molecular Weight |
501.031
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| Canonical SMILES |
COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCN(C)CC4)cc(OC(C)C)c23)n1
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| InChI |
InChI=1S/C25H33ClN6O3/c1-17(2)35-21-15-18(34-13-5-8-32-11-9-31(3)10-12-32)14-20-23(21)25(28-16-27-20)30-24-19(26)6-7-22(29-24)33-4/h6-7,14-17H,5,8-13H2,1-4H3,(H,27,28,29,30)
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| InChIKey |
MPNHPBKFHQKFKA-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