General Information of the Compound
| Compound ID |
CP0421181
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| Compound Name |
8''-chloro-5''-(3-dimethylaminopropoxy)spiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-2''-one
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| Structure |
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| Formula |
C18H26ClN3O2
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| Molecular Weight |
351.878
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| Canonical SMILES |
CN(C)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
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| InChI |
InChI=1S/C18H26ClN3O2/c1-22(2)11-6-12-24-14-8-7-13(19)16-15(14)18(21-17(23)20-16)9-4-3-5-10-18/h7-8H,3-6,9-12H2,1-2H3,(H2,20,21,23)
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| InChIKey |
RYMSZFRCYIQMRX-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