General Information of the Compound
| Compound ID |
CP0503143
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| Compound Name |
3-(2-ethoxyphenyl)-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-5-methylquinazolin-4-one
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| Structure |
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| Formula |
C27H28N4O4
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| Molecular Weight |
472.545
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| Canonical SMILES |
CCOc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2cccc(C)c2c1=O
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| InChI |
InChI=1S/C27H28N4O4/c1-3-34-22-11-5-4-10-21(22)31-24(28-20-9-6-8-19(2)25(20)27(31)33)18-29-13-15-30(16-14-29)26(32)23-12-7-17-35-23/h4-12,17H,3,13-16,18H2,1-2H3
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| InChIKey |
BNSKPKDLQSFZNN-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