General Information of the Compound
| Compound ID |
CP0533055
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| Compound Name |
2-cyclohexyl-10-methyl-3-(4-methylphenyl)pyrimido[4,5-b]quinoline-4,5-dione
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| Structure |
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| Formula |
C25H25N3O2
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| Molecular Weight |
399.494
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| Canonical SMILES |
Cc1ccc(cc1)-n1c(nc2n(C)c3ccccc3c(=O)c2c1=O)C1CCCCC1
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| InChI |
InChI=1S/C25H25N3O2/c1-16-12-14-18(15-13-16)28-23(17-8-4-3-5-9-17)26-24-21(25(28)30)22(29)19-10-6-7-11-20(19)27(24)2/h6-7,10-15,17H,3-5,8-9H2,1-2H3
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| InChIKey |
AYWKCNXUVSVHMI-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