General Information of the Compound
| Compound ID |
CP0532372
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-bicyclo[3.3.1]non-9-yl-pyrrolidin-3-yl)-amide
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| Structure |
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| Formula |
C25H31BrN2O2
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| Molecular Weight |
471.439
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2
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| InChI |
InChI=1S/C25H31BrN2O2/c1-30-24-20-11-3-2-10-19(20)22(26)14-21(24)25(29)27-18-12-13-28(15-18)23-16-6-4-7-17(23)9-5-8-16/h2-3,10-11,14,16-18,23H,4-9,12-13,15H2,1H3,(H,27,29)/t16?,17?,18-,23?/m0/s1
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| InChIKey |
SWEOLYDPFYCLRX-RNBBLLSTSA-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