General Information of the Compound
| Compound ID |
CP0479286
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| Compound Name |
3-(3-chloro-4-methoxyphenyl)-2-cyclohexyl-10-methylpyrimido[4,5-b]quinoline-4,5-dione
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| Structure |
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| Formula |
C25H24ClN3O3
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| Molecular Weight |
449.938
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| Canonical SMILES |
COc1ccc(cc1Cl)-n1c(nc2n(C)c3ccccc3c(=O)c2c1=O)C1CCCCC1
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| InChI |
InChI=1S/C25H24ClN3O3/c1-28-19-11-7-6-10-17(19)22(30)21-24(28)27-23(15-8-4-3-5-9-15)29(25(21)31)16-12-13-20(32-2)18(26)14-16/h6-7,10-15H,3-5,8-9H2,1-2H3
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| InChIKey |
MNPXMWJDPQJNRW-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