General Information of the Compound
| Compound ID |
CP0414816
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| Compound Name |
((S)-1-Benzyl-pyrrolidin-3-ylmethyl)-[2-(5-bromo-2-methoxy-phenyl)-oxazol-4-ylmethyl]-methyl-amine
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| Structure |
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| Formula |
C24H28BrN3O2
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| Molecular Weight |
470.411
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| Canonical SMILES |
COc1ccc(Br)cc1-c1nc(CN(C)C[C@@H]2CCN(Cc3ccccc3)C2)co1
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| InChI |
InChI=1S/C24H28BrN3O2/c1-27(13-19-10-11-28(15-19)14-18-6-4-3-5-7-18)16-21-17-30-24(26-21)22-12-20(25)8-9-23(22)29-2/h3-9,12,17,19H,10-11,13-16H2,1-2H3/t19-/m0/s1
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| InChIKey |
LJXKPIFQYYNLTO-IBGZPJMESA-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