General Information of the Compound
| Compound ID |
CP0391246
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| Compound Name |
2-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-5-yloxy]acetonitrile
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| Structure |
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| Formula |
C15H16ClN3O2
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| Molecular Weight |
305.765
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| Canonical SMILES |
Clc1ccc(OCC#N)c2c1NC(=O)NC21CCCCC1
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| InChI |
InChI=1S/C15H16ClN3O2/c16-10-4-5-11(21-9-8-17)12-13(10)18-14(20)19-15(12)6-2-1-3-7-15/h4-5H,1-3,6-7,9H2,(H2,18,19,20)
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| InChIKey |
PSOBALBMMYVCLY-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