General Information of the Compound
| Compound ID |
CP0479262
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| Compound Name |
3-(3-chlorophenyl)-2-(cyclohexylmethyl)-10-methylpyrimido[4,5-b]quinoline-4,5-dione
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| Structure |
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| Formula |
C25H24ClN3O2
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| Molecular Weight |
433.939
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| Canonical SMILES |
Cn1c2ccccc2c(=O)c2c1nc(CC1CCCCC1)n(-c1cccc(Cl)c1)c2=O
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| InChI |
InChI=1S/C25H24ClN3O2/c1-28-20-13-6-5-12-19(20)23(30)22-24(28)27-21(14-16-8-3-2-4-9-16)29(25(22)31)18-11-7-10-17(26)15-18/h5-7,10-13,15-16H,2-4,8-9,14H2,1H3
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| InChIKey |
RQVVNYVXJNOLSY-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