General Information of the Compound
| Compound ID |
CP0906081
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| Compound Name |
6-((2-(4-(2-Methoxyphenyl)piperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydro-1H-naphtho-[2,3-d]imidazole-2(3H)-thione
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| Structure |
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| Formula |
C27H37N5OS
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| Molecular Weight |
479.694
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| Canonical SMILES |
CCCN(CCN1CCN(c2ccccc2OC)CC1)C1CCc2cc3[nH]c(=S)[nH]c3cc2C1
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| InChI |
InChI=1S/C27H37N5OS/c1-3-10-31(22-9-8-20-18-23-24(19-21(20)17-22)29-27(34)28-23)14-11-30-12-15-32(16-13-30)25-6-4-5-7-26(25)33-2/h4-7,18-19,22H,3,8-17H2,1-2H3,(H2,28,29,34)
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| InChIKey |
LDKNODGFUIWIJS-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