General Information of the Compound
| Compound ID |
CP0877209
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| Compound Name |
4-(3-Chloro-2,4-difluoroanilino)-7-methoxy-6-{[1-(N-methylcarbamoylmethyl)piperidin-4-yl]oxy}quinazoline
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| Structure |
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| Formula |
C23H24ClF2N5O3
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| Molecular Weight |
491.926
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| Canonical SMILES |
CNC(=O)CN1CCC(Oc2cc3c(Nc4ccc(F)c(Cl)c4F)ncnc3cc2OC)CC1
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| InChI |
InChI=1S/C23H24ClF2N5O3/c1-27-20(32)11-31-7-5-13(6-8-31)34-19-9-14-17(10-18(19)33-2)28-12-29-23(14)30-16-4-3-15(25)21(24)22(16)26/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,27,32)(H,28,29,30)
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| InChIKey |
DFDNMLBIWKPQJR-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