General Information of the Compound
| Compound ID |
CP0285675
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| Compound Name |
8''-chloro-6''-phenylspiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-2''-one
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| Structure |
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| Formula |
C19H19ClN2O
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| Molecular Weight |
326.827
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| Canonical SMILES |
Clc1cc(cc2c1NC(=O)NC21CCCCC1)-c1ccccc1
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| InChI |
InChI=1S/C19H19ClN2O/c20-16-12-14(13-7-3-1-4-8-13)11-15-17(16)21-18(23)22-19(15)9-5-2-6-10-19/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H2,21,22,23)
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| InChIKey |
OFWGHMAISKOSQV-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