General Information of the Compound
| Compound ID |
CP0099911
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| Compound Name |
4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-6-yl]benzamide
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| Structure |
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| Formula |
C20H20ClN3O2
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| Molecular Weight |
369.852
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1
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| InChI |
InChI=1S/C20H20ClN3O2/c21-16-11-14(12-4-6-13(7-5-12)18(22)25)10-15-17(16)23-19(26)24-20(15)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H2,22,25)(H2,23,24,26)
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| InChIKey |
WQHMBRVYRFOUDL-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