General Information of the Compound
| Compound ID |
CP0528434
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| Compound Name |
2-cyclopentyl-3-(4-methoxyphenyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
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| Structure |
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| Formula |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
COc1ccc(cc1)-n1c(nc2n(C)c3ccccc3c(=O)c2c1=O)C1CCCC1
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| InChI |
InChI=1S/C24H23N3O3/c1-26-19-10-6-5-9-18(19)21(28)20-23(26)25-22(15-7-3-4-8-15)27(24(20)29)16-11-13-17(30-2)14-12-16/h5-6,9-15H,3-4,7-8H2,1-2H3
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| InChIKey |
CQJOLSZKWFRIAR-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