General Information of the Compound
| Compound ID |
CP0378342
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| Compound Name |
ethyl 5-[(8-chloro-2-oxospiro[1,3-dihydroquinazoline-4,1'-cyclohexane]-5-yl)oxymethyl]furan-2-carboxylate
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| Structure |
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| Formula |
C21H23ClN2O5
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| Molecular Weight |
418.877
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| Canonical SMILES |
CCOC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
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| InChI |
InChI=1S/C21H23ClN2O5/c1-2-27-19(25)16-8-6-13(29-16)12-28-15-9-7-14(22)18-17(15)21(24-20(26)23-18)10-4-3-5-11-21/h6-9H,2-5,10-12H2,1H3,(H2,23,24,26)
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| InChIKey |
LRJDXDRKLRBINJ-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
Protein ID: PT01538, 3',5'-cyclic-AMP phosphodiesterase 4D
Protein ID: PT01798, cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A
Protein ID: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A