General Information of the Compound
| Compound ID |
CP0500908
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| Compound Name |
1-Amino-3-[4-(3-chloro-4-fluoro-phenylamino)-7-methoxy-quinazolin-6-yloxy]-propan-2-ol
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| Structure |
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| Formula |
C18H18ClFN4O3
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| Molecular Weight |
392.818
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| Canonical SMILES |
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC(O)CN
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| InChI |
InChI=1S/C18H18ClFN4O3/c1-26-16-6-15-12(5-17(16)27-8-11(25)7-21)18(23-9-22-15)24-10-2-3-14(20)13(19)4-10/h2-6,9,11,25H,7-8,21H2,1H3,(H,22,23,24)
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| InChIKey |
AYMHYBUGFXYGNZ-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