General Information of the Compound
| Compound ID |
CP0858830
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| Compound Name |
1-(4-(4-(4-bromo-3-methylphenylamino)-7-methoxyquinazolin-6-yloxy)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C24H25BrN4O3
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| Molecular Weight |
497.393
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| Canonical SMILES |
C=CC(=O)N1CCC(Oc2cc3c(Nc4ccc(Br)c(C)c4)ncnc3cc2OC)CC1
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| InChI |
InChI=1S/C24H25BrN4O3/c1-4-23(30)29-9-7-17(8-10-29)32-22-12-18-20(13-21(22)31-3)26-14-27-24(18)28-16-5-6-19(25)15(2)11-16/h4-6,11-14,17H,1,7-10H2,2-3H3,(H,26,27,28)
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| InChIKey |
QZWJEZPKWFMCFH-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