General Information of the Compound
| Compound ID |
CP0479268
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| Compound Name |
2-(cyclohexylmethyl)-10-methyl-3-phenylpyrimido[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 |
Cn1c2ccccc2c(=O)c2c1nc(CC1CCCCC1)n(-c1ccccc1)c2=O
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| InChI |
InChI=1S/C25H25N3O2/c1-27-20-15-9-8-14-19(20)23(29)22-24(27)26-21(16-17-10-4-2-5-11-17)28(25(22)30)18-12-6-3-7-13-18/h3,6-9,12-15,17H,2,4-5,10-11,16H2,1H3
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| InChIKey |
HVSCXNUTZFPTIV-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