General Information of the Compound
| Compound ID |
CP0566530
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| Compound Name |
1,1-dimethylethyl 4-[5-({[4-[(3,4- dichlorophenyl)amino]-6- (methyloxy)quinazolin-7-yl]oxy}methyl)-1,2,4- oxadiazol-3-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C27H29Cl2N7O5
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| Molecular Weight |
602.479
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1nc(no1)N1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H29Cl2N7O5/c1-27(2,3)40-26(37)36-9-7-35(8-10-36)25-33-23(41-34-25)14-39-22-13-20-17(12-21(22)38-4)24(31-15-30-20)32-16-5-6-18(28)19(29)11-16/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,30,31,32)
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| InChIKey |
VVDWMCFFRNYWGL-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