General Information of the Compound
| Compound ID |
CP0393326
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| Compound Name |
3-(4-Chloro-benzyl)-8-methyl-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
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| Structure |
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| Formula |
C20H18ClNO2
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| Molecular Weight |
339.822
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| Canonical SMILES |
Cc1ccc2c3CCN(Cc4ccc(Cl)cc4)Cc3c(=O)oc2c1
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| InChI |
InChI=1S/C20H18ClNO2/c1-13-2-7-17-16-8-9-22(11-14-3-5-15(21)6-4-14)12-18(16)20(23)24-19(17)10-13/h2-7,10H,8-9,11-12H2,1H3
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| InChIKey |
MCJPCWOSNLXXLG-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: PT01005, D(2) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor