General Information of the Compound
| Compound ID |
CP0479271
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| Compound Name |
3-(3-chlorophenyl)-10-methyl-2-(2-methylpropyl)pyrimido[4,5-b]quinoline-4,5-dione
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| Structure |
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| Formula |
C22H20ClN3O2
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| Molecular Weight |
393.874
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| Canonical SMILES |
CC(C)Cc1nc2n(C)c3ccccc3c(=O)c2c(=O)n1-c1cccc(Cl)c1
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| InChI |
InChI=1S/C22H20ClN3O2/c1-13(2)11-18-24-21-19(20(27)16-9-4-5-10-17(16)25(21)3)22(28)26(18)15-8-6-7-14(23)12-15/h4-10,12-13H,11H2,1-3H3
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| InChIKey |
PJCKLAREXGOOSE-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