General Information of the Compound
| Compound ID |
CP0422922
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| Compound Name |
8-Methoxy-3-(4-methyl-benzyl)-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
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| Structure |
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| Formula |
C21H21NO3
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| Molecular Weight |
335.403
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| Canonical SMILES |
COc1ccc2c3CCN(Cc4ccc(C)cc4)Cc3c(=O)oc2c1
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| InChI |
InChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3
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| InChIKey |
GCSJTLWMFLOWBK-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: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor