General Information of the Compound
| Compound ID |
CP0465347
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-cyclopentyl-piperidin-4-yl)-amide
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| Structure |
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| Formula |
C22H27BrN2O2
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| Molecular Weight |
431.374
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NC1CCN(CC1)C1CCCC1
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| InChI |
InChI=1S/C22H27BrN2O2/c1-27-21-18-9-5-4-8-17(18)20(23)14-19(21)22(26)24-15-10-12-25(13-11-15)16-6-2-3-7-16/h4-5,8-9,14-16H,2-3,6-7,10-13H2,1H3,(H,24,26)
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| InChIKey |
IBSUSMRNKCYPFQ-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