General Information of the Compound
| Compound ID |
CP0510543
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| Compound Name |
7-((2-(4-(1H-indol-5-yl)piperazin-1-yl)ethyl)(propyl)-amino)-5,6,7,8-tetrahydro-naphthalen-2-ol
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| Structure |
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| Formula |
C27H36N4O
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| Molecular Weight |
432.612
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| Canonical SMILES |
CCCN(CCN1CCN(CC1)c1ccc2[nH]ccc2c1)C1CCc2ccc(O)cc2C1
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| InChI |
InChI=1S/C27H36N4O/c1-2-11-30(24-5-3-21-4-7-26(32)20-23(21)19-24)15-12-29-13-16-31(17-14-29)25-6-8-27-22(18-25)9-10-28-27/h4,6-10,18,20,24,28,32H,2-3,5,11-17,19H2,1H3
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| InChIKey |
SSHCPHXGSFGAOS-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