General Information of the Compound
| Compound ID |
CP0938092
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| Compound Name |
1-(4-(4-(3-chloro-2,4-difluorophenylamino)-7-(2-methoxyethoxy)quinazolin-6-yloxy)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C25H25ClF2N4O3
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| Molecular Weight |
502.949
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| Canonical SMILES |
C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OCCC)CC1
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| InChI |
InChI=1S/C25H25ClF2N4O3/c1-3-11-34-20-13-19-16(12-21(20)35-15-7-9-32(10-8-15)22(33)4-2)25(30-14-29-19)31-18-6-5-17(27)23(26)24(18)28/h4-6,12-15H,2-3,7-11H2,1H3,(H,29,30,31)
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| InChIKey |
KEDULXWYBUCCKH-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