General Information of the Compound
| Compound ID |
CP0380392
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| Compound Name |
N-(3,4-dichlorophenyl)-7-({[5-(3,5- dimethylisoxazol-4-yl)-1,2,4-oxadiazol-3- yl]methyl}oxy)-6-(methyloxy)quinazolin-4- amine
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| Structure |
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| Formula |
C23H18Cl2N6O4
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| Molecular Weight |
513.341
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)-c1c(C)noc1C
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| InChI |
InChI=1S/C23H18Cl2N6O4/c1-11-21(12(2)34-30-11)23-29-20(31-35-23)9-33-19-8-17-14(7-18(19)32-3)22(27-10-26-17)28-13-4-5-15(24)16(25)6-13/h4-8,10H,9H2,1-3H3,(H,26,27,28)
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| InChIKey |
NQWKXHZZPBXKGF-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