General Information of the Compound
| Compound ID |
CP0178683
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| Compound Name |
1N-(3-dimethylaminopropyl)-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 |
C25H31ClN4O2
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| Molecular Weight |
455.002
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| Canonical SMILES |
CN(C)CCCNC(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1
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| InChI |
InChI=1S/C25H31ClN4O2/c1-30(2)14-6-13-27-23(31)18-9-7-17(8-10-18)19-15-20-22(21(26)16-19)28-24(32)29-25(20)11-4-3-5-12-25/h7-10,15-16H,3-6,11-14H2,1-2H3,(H,27,31)(H2,28,29,32)
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| InChIKey |
MSQFNSFSIFBMMM-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