General Information of the Compound
| Compound ID |
CP0479264
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| Compound Name |
3-(3-chloro-4-methoxyphenyl)-10-methyl-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione
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| Structure |
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| Formula |
C23H22ClN3O3
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| Molecular Weight |
423.9
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| Canonical SMILES |
COc1ccc(cc1Cl)-n1c(CC(C)C)nc2n(C)c3ccccc3c(=O)c2c1=O
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| InChI |
InChI=1S/C23H22ClN3O3/c1-13(2)11-19-25-22-20(21(28)15-7-5-6-8-17(15)26(22)3)23(29)27(19)14-9-10-18(30-4)16(24)12-14/h5-10,12-13H,11H2,1-4H3
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| InChIKey |
MCZLVBATDDLDAC-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