General Information of the Compound
| Compound ID |
CP0151419
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| Compound Name |
1N-(2-dimethylaminoethyl)-3-[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 |
C24H29ClN4O2
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| Molecular Weight |
440.975
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| Canonical SMILES |
CN(C)CCNC(=O)c1cccc(c1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1
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| InChI |
InChI=1S/C24H29ClN4O2/c1-29(2)12-11-26-22(30)17-8-6-7-16(13-17)18-14-19-21(20(25)15-18)27-23(31)28-24(19)9-4-3-5-10-24/h6-8,13-15H,3-5,9-12H2,1-2H3,(H,26,30)(H2,27,28,31)
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| InChIKey |
CBHIBSGFEWJCSB-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