General Information of the Compound
| Compound ID |
CP0479275
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| Compound Name |
3-(4-chlorophenyl)-2-cyclopentyl-10-methylpyrimido[4,5-b]quinoline-4,5-dione
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| Structure |
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| Formula |
C23H20ClN3O2
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| Molecular Weight |
405.885
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| Canonical SMILES |
Cn1c2ccccc2c(=O)c2c1nc(C1CCCC1)n(-c1ccc(Cl)cc1)c2=O
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| InChI |
InChI=1S/C23H20ClN3O2/c1-26-18-9-5-4-8-17(18)20(28)19-22(26)25-21(14-6-2-3-7-14)27(23(19)29)16-12-10-15(24)11-13-16/h4-5,8-14H,2-3,6-7H2,1H3
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| InChIKey |
BBKDIVBFGZHHCI-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor