General Information of the Compound
| Compound ID |
CP0429920
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| Compound Name |
2-{2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-5-yloxy]ethylamino}acetic acid
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| Structure |
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| Formula |
C17H22ClN3O4
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| Molecular Weight |
367.833
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| Canonical SMILES |
OC(=O)CNCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
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| InChI |
InChI=1S/C17H22ClN3O4/c18-11-4-5-12(25-9-8-19-10-13(22)23)14-15(11)20-16(24)21-17(14)6-2-1-3-7-17/h4-5,19H,1-3,6-10H2,(H,22,23)(H2,20,21,24)
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| InChIKey |
CJAKHQQOVPIKRV-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: PT01728, High affinity 3',5'-cyclic-AMP phosphodiesterase 7A