General Information of the Compound
| Compound ID |
CP0419228
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| Compound Name |
3-(3,4-Dichloro-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 |
C20H17Cl2NO3
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| Molecular Weight |
390.266
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| Canonical SMILES |
COc1ccc2c3CCN(Cc4ccc(Cl)c(Cl)c4)Cc3c(=O)oc2c1
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| InChI |
InChI=1S/C20H17Cl2NO3/c1-25-13-3-4-15-14-6-7-23(10-12-2-5-17(21)18(22)8-12)11-16(14)20(24)26-19(15)9-13/h2-5,8-9H,6-7,10-11H2,1H3
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| InChIKey |
CDPWDOLVSDDBEM-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