General Information of the Compound
| Compound ID |
CP0440243
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| Compound Name |
8''-chloro-5''-[2-(1,4-oxazinan-4-yl)ethoxy]spiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-2''-one
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| Structure |
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| Formula |
C19H26ClN3O3
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| Molecular Weight |
379.888
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| Canonical SMILES |
Clc1ccc(OCCN2CCOCC2)c2c1NC(=O)NC21CCCCC1
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| InChI |
InChI=1S/C19H26ClN3O3/c20-14-4-5-15(26-13-10-23-8-11-25-12-9-23)16-17(14)21-18(24)22-19(16)6-2-1-3-7-19/h4-5H,1-3,6-13H2,(H2,21,22,24)
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| InChIKey |
NDIGGVVRAHQVPZ-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