General Information of the Compound
| Compound ID |
CP0935439
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| Compound Name |
rac-4-(3-Chloro-2-fluoroanilino)-7-methoxy-6-{[1-(N-methylcarbamoylmethyl)piperidin-3-yl]oxy}quinazoline
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| Structure |
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| Formula |
C23H25ClFN5O3
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| Molecular Weight |
473.936
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| Canonical SMILES |
CNC(=O)CN1CCCC(Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC)C1
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| InChI |
InChI=1S/C23H25ClFN5O3/c1-26-21(31)12-30-8-4-5-14(11-30)33-20-9-15-18(10-19(20)32-2)27-13-28-23(15)29-17-7-3-6-16(24)22(17)25/h3,6-7,9-10,13-14H,4-5,8,11-12H2,1-2H3,(H,26,31)(H,27,28,29)
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| InChIKey |
BYYWJRFAGSCZSN-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