General Information of the Compound
| Compound ID |
CP0487171
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| Compound Name |
5-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-5-yloxymethyl]-2-furoic acid
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| Structure |
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| Formula |
C19H19ClN2O5
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| Molecular Weight |
390.823
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| Canonical SMILES |
OC(=O)c1ccc(COc2ccc(Cl)c3NC(=O)NC4(CCCCC4)c23)o1
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| InChI |
InChI=1S/C19H19ClN2O5/c20-12-5-7-13(26-10-11-4-6-14(27-11)17(23)24)15-16(12)21-18(25)22-19(15)8-2-1-3-9-19/h4-7H,1-3,8-10H2,(H,23,24)(H2,21,22,25)
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| InChIKey |
VLZBPFMKLZZNRU-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