General Information of the Compound
| Compound ID |
CP0958633
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| Compound Name |
1-(4-(4-(m-toluidino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
C=CC(=O)N1CCC(Oc2cc3c(Nc4cccc(C)c4)ncnc3cc2OC)CC1
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| InChI |
InChI=1S/C24H26N4O3/c1-4-23(29)28-10-8-18(9-11-28)31-22-13-19-20(14-21(22)30-3)25-15-26-24(19)27-17-7-5-6-16(2)12-17/h4-7,12-15,18H,1,8-11H2,2-3H3,(H,25,26,27)
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| InChIKey |
QSSKFKCURYVBPD-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