General Information of the Compound
| Compound ID |
CP0470402
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-bicyclo[3.3.1]non-9-yl-pyrrolidin-2-ylmethyl)-amide
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| Structure |
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| Formula |
C26H33BrN2O2
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| Molecular Weight |
485.466
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@@H]1CCCN1C1C2CCCC1CCC2
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| InChI |
InChI=1S/C26H33BrN2O2/c1-31-25-21-13-3-2-12-20(21)23(27)15-22(25)26(30)28-16-19-11-6-14-29(19)24-17-7-4-8-18(24)10-5-9-17/h2-3,12-13,15,17-19,24H,4-11,14,16H2,1H3,(H,28,30)/t17?,18?,19-,24?/m0/s1
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| InChIKey |
OXPSOFUXALIQFQ-MCLLYFMISA-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