General Information of the Compound
| Compound ID |
CP0449041
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| Compound Name |
3-(3-Chloro-benzyl)-8-methoxy-1,2,3,4-tetrahydro-chromeno[3,4-c]pyridin-5-one
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| Structure |
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| Formula |
C20H18ClNO3
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| Molecular Weight |
355.821
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| Canonical SMILES |
COc1ccc2c3CCN(Cc4cccc(Cl)c4)Cc3c(=O)oc2c1
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| InChI |
InChI=1S/C20H18ClNO3/c1-24-15-5-6-17-16-7-8-22(11-13-3-2-4-14(21)9-13)12-18(16)20(23)25-19(17)10-15/h2-6,9-10H,7-8,11-12H2,1H3
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| InChIKey |
MMTKBQGOVDOJAE-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