General Information of the Compound
| Compound ID |
CP0508723
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| Compound Name |
3-benzoyl-1-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C26H29N3O4
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| Molecular Weight |
447.535
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| Canonical SMILES |
O=C(c1ccccc1)n1c(=O)ccn(Cc2ccc(OCCCN3CCCCC3)cc2)c1=O
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| InChI |
InChI=1S/C26H29N3O4/c30-24-14-18-28(26(32)29(24)25(31)22-8-3-1-4-9-22)20-21-10-12-23(13-11-21)33-19-7-17-27-15-5-2-6-16-27/h1,3-4,8-14,18H,2,5-7,15-17,19-20H2
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| InChIKey |
JXERJJHLFRRHEH-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