General Information of the Compound
| Compound ID |
CP0874352
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| Compound Name |
4-(3-Chloro-2-fluoroanilino)-7-methoxy-6-{[1-(N-(2-methoxyethyl)carbamoylmethyl)piperidin-4-yl]oxy}quinazoline
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| Structure |
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| Formula |
C25H29ClFN5O4
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| Molecular Weight |
517.989
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| Canonical SMILES |
COCCNC(=O)CN1CCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)CC1
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| InChI |
InChI=1S/C25H29ClFN5O4/c1-34-11-8-28-23(33)14-32-9-6-16(7-10-32)36-22-12-17-20(13-21(22)35-2)29-15-30-25(17)31-19-5-3-4-18(26)24(19)27/h3-5,12-13,15-16H,6-11,14H2,1-2H3,(H,28,33)(H,29,30,31)
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| InChIKey |
BTLOEEXILKUGRC-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