General Information of the Compound
| Compound ID |
CP0851297
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| Compound Name |
1-(4-(7-methoxy-4-(3-(trifluoromethyl)phenylamino)quinazolin-6-yloxy)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C24H23F3N4O3
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| Molecular Weight |
472.467
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| Canonical SMILES |
C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C(F)(F)F)c4)ncnc3cc2OC)CC1
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| InChI |
InChI=1S/C24H23F3N4O3/c1-3-22(32)31-9-7-17(8-10-31)34-21-12-18-19(13-20(21)33-2)28-14-29-23(18)30-16-6-4-5-15(11-16)24(25,26)27/h3-6,11-14,17H,1,7-10H2,2H3,(H,28,29,30)
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| InChIKey |
USGHNIVIMGBDLF-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