General Information of the Compound
| Compound ID |
CP0431181
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| Compound Name |
(4-{2-[(7-Hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-ethyl}-piperazin-1-yl)-(1H-indol-2-yl)-methanone
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| Structure |
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| Formula |
C28H36N4O2
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| Molecular Weight |
460.622
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)C(=O)c1cc2ccccc2[nH]1)C1CCc2ccc(O)cc2C1
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| InChI |
InChI=1S/C28H36N4O2/c1-2-11-31(24-9-7-21-8-10-25(33)19-23(21)18-24)15-12-30-13-16-32(17-14-30)28(34)27-20-22-5-3-4-6-26(22)29-27/h3-6,8,10,19-20,24,29,33H,2,7,9,11-18H2,1H3
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| InChIKey |
WPHMPNDBLUZOLV-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