General Information of the Compound
| Compound ID |
CP0444095
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| Compound Name |
(5,6-Dimethoxy-indan-2-yl)-propyl-[2-(4-trifluoromethyl-phenyl)-ethyl]-amine
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| Structure |
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| Formula |
C23H28F3NO2
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| Molecular Weight |
407.476
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| Canonical SMILES |
CCCN(CCc1ccc(cc1)C(F)(F)F)C1Cc2cc(OC)c(OC)cc2C1
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| InChI |
InChI=1S/C23H28F3NO2/c1-4-10-27(11-9-16-5-7-19(8-6-16)23(24,25)26)20-12-17-14-21(28-2)22(29-3)15-18(17)13-20/h5-8,14-15,20H,4,9-13H2,1-3H3
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| InChIKey |
WTDNZXBSHAXHEU-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