General Information of the Compound
| Compound ID |
CP0452314
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| Compound Name |
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)quinazolin-4-one
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| Structure |
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| Formula |
C25H24N4O4
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| Molecular Weight |
444.491
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| Canonical SMILES |
COc1ccccc1-n1c(CN2CCN(CC2)C(=O)c2ccco2)nc2ccccc2c1=O
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| InChI |
InChI=1S/C25H24N4O4/c1-32-21-10-5-4-9-20(21)29-23(26-19-8-3-2-7-18(19)24(29)30)17-27-12-14-28(15-13-27)25(31)22-11-6-16-33-22/h2-11,16H,12-15,17H2,1H3
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| InChIKey |
ASPSDFULUMJNFV-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