General Information of the Compound
| Compound ID |
CP0454857
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| Compound Name |
((S)-1-Benzyl-pyrrolidin-3-ylmethyl)-[2-(4-bromo-1-methoxy-naphthalen-2-yl)-oxazol-4-ylmethyl]-amine
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| Structure |
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| Formula |
C27H28BrN3O2
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| Molecular Weight |
506.444
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)co1
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| InChI |
InChI=1S/C27H28BrN3O2/c1-32-26-23-10-6-5-9-22(23)25(28)13-24(26)27-30-21(18-33-27)15-29-14-20-11-12-31(17-20)16-19-7-3-2-4-8-19/h2-10,13,18,20,29H,11-12,14-17H2,1H3/t20-/m0/s1
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| InChIKey |
DRRIHRQXXFYPBU-FQEVSTJZSA-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