General Information of the Compound
| Compound ID |
CP0962730
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(2-propylpentanoyl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C28H34Cl2N4O4
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| Molecular Weight |
561.51
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| Canonical SMILES |
CCCC(CCC)C(=O)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1
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| InChI |
InChI=1S/C28H34Cl2N4O4/c1-4-6-18(7-5-2)28(35)34-10-11-37-20(15-34)16-38-26-14-24-21(13-25(26)36-3)27(32-17-31-24)33-19-8-9-22(29)23(30)12-19/h8-9,12-14,17-18,20H,4-7,10-11,15-16H2,1-3H3,(H,31,32,33)
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| InChIKey |
AKMSPGIAHZAWSW-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