General Information of the Compound
| Compound ID |
CP0867268
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| Compound Name |
N-(3,4-dichlorophenyl)-6-(methyloxy)-7-({[4-(2-phenylbutanoyl)morpholin-2-yl]methyl}oxy)quinazolin-4-amine
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| Structure |
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| Formula |
C30H30Cl2N4O4
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| Molecular Weight |
581.5
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| Canonical SMILES |
CCC(C(=O)N1CCOC(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)C1)c1ccccc1
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| InChI |
InChI=1S/C30H30Cl2N4O4/c1-3-22(19-7-5-4-6-8-19)30(37)36-11-12-39-21(16-36)17-40-28-15-26-23(14-27(28)38-2)29(34-18-33-26)35-20-9-10-24(31)25(32)13-20/h4-10,13-15,18,21-22H,3,11-12,16-17H2,1-2H3,(H,33,34,35)
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| InChIKey |
TZKZSFJMVHBLGG-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