General Information of the Compound
| Compound ID |
CP0529544
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| Compound Name |
1,1-dimethylethyl 2-[3-({[4-[(3,4- dichlorophenyl)amino]-6- (methyloxy)quinazolin-7-yl]oxy}methyl)-1,2,4- oxadiazol-5-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C28H30Cl2N6O5
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| Molecular Weight |
601.491
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1noc(n1)C1CCCCN1C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C28H30Cl2N6O5/c1-28(2,3)40-27(37)36-10-6-5-7-21(36)26-34-24(35-41-26)14-39-23-13-20-17(12-22(23)38-4)25(32-15-31-20)33-16-8-9-18(29)19(30)11-16/h8-9,11-13,15,21H,5-7,10,14H2,1-4H3,(H,31,32,33)
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| InChIKey |
RUBSXJGCJAOKHK-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