General Information of the Compound
| Compound ID |
CP0273072
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| Compound Name |
N-[4-[(5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-methylamino]butyl]-4-phenylbenzamide
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| Structure |
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| Formula |
C28H32N2O2
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| Molecular Weight |
428.576
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| Canonical SMILES |
CN(CCCCNC(=O)c1ccc(cc1)-c1ccccc1)C1CCc2c(O)cccc2C1
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| InChI |
InChI=1S/C28H32N2O2/c1-30(25-16-17-26-24(20-25)10-7-11-27(26)31)19-6-5-18-29-28(32)23-14-12-22(13-15-23)21-8-3-2-4-9-21/h2-4,7-15,25,31H,5-6,16-20H2,1H3,(H,29,32)
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| InChIKey |
HFPUZJYAPWLJOL-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