General Information of the Compound
| Compound ID |
CP0440199
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| Compound Name |
N-[2-(4-bromophenyl)ethyl]-5,6-dimethoxy-N-propyl-2,3-dihydro-1H-inden-2-amine
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| Structure |
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| Formula |
C22H28BrNO2
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| Molecular Weight |
418.375
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| Canonical SMILES |
CCCN(CCc1ccc(Br)cc1)C1Cc2cc(OC)c(OC)cc2C1
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| InChI |
InChI=1S/C22H28BrNO2/c1-4-10-24(11-9-16-5-7-19(23)8-6-16)20-12-17-14-21(25-2)22(26-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
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| InChIKey |
VDMXQMKKYAQTLW-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor