General Information of the Compound
| Compound ID |
CP0468474
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| Compound Name |
3-(2-ethoxyphenyl)-2-[[1-(furan-2-carbonyl)piperidin-4-yl]methyl]quinazolin-4-one
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| Structure |
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| Formula |
C27H27N3O4
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| Molecular Weight |
457.53
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| Canonical SMILES |
CCOc1ccccc1-n1c(CC2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O
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| InChI |
InChI=1S/C27H27N3O4/c1-2-33-23-11-6-5-10-22(23)30-25(28-21-9-4-3-8-20(21)26(30)31)18-19-13-15-29(16-14-19)27(32)24-12-7-17-34-24/h3-12,17,19H,2,13-16,18H2,1H3
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| InChIKey |
STWNJTXRYGHYPL-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