General Information of the Compound
| Compound ID |
CP0938091
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| Compound Name |
1-(3-(7-methoxy-4-((1R)-1-phenylethylamino)quinazolin-6-yloxy)azetidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C23H24N4O3
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| Molecular Weight |
404.47
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| Canonical SMILES |
C=CC(=O)N1CC(Oc2cc3c(N[C@H](C)c4ccccc4)ncnc3cc2OC)C1
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| InChI |
InChI=1S/C23H24N4O3/c1-4-22(28)27-12-17(13-27)30-21-10-18-19(11-20(21)29-3)24-14-25-23(18)26-15(2)16-8-6-5-7-9-16/h4-11,14-15,17H,1,12-13H2,2-3H3,(H,24,25,26)/t15-/m1/s1
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| InChIKey |
KMAWLBPQKPGVFL-OAHLLOKOSA-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