General Information of the Compound
| Compound ID |
CP0395754
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| Compound Name |
N-(3,4-dichlorophenyl)-7-[({4-[4- (diethylamino)phenyl]-1,3-thiazol-2- yl}methyl)oxy]-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C29H27Cl2N5O2S
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| Molecular Weight |
580.541
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| Canonical SMILES |
CCN(CC)c1ccc(cc1)-c1csc(COc2cc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3cc2OC)n1
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| InChI |
InChI=1S/C29H27Cl2N5O2S/c1-4-36(5-2)20-9-6-18(7-10-20)25-16-39-28(35-25)15-38-27-14-24-21(13-26(27)37-3)29(33-17-32-24)34-19-8-11-22(30)23(31)12-19/h6-14,16-17H,4-5,15H2,1-3H3,(H,32,33,34)
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| InChIKey |
XCMSAHCDUHXACI-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