General Information of the Compound
| Compound ID |
CP0162429
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| Compound Name |
Biphenyl-4-carboxylic acid {4-[(5-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-butyl}-amide
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| Structure |
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| Formula |
C30H36N2O2
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| Molecular Weight |
456.63
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| Canonical SMILES |
CCCN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C30H36N2O2/c1-2-20-32(27-17-18-28-26(22-27)11-8-12-29(28)33)21-7-6-19-31-30(34)25-15-13-24(14-16-25)23-9-4-3-5-10-23/h3-5,8-16,27,33H,2,6-7,17-22H2,1H3,(H,31,34)
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| InChIKey |
RISZOHTXHUANFZ-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor