General Information of the Compound
| Compound ID |
CP0416955
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| Compound Name |
3-(2-methoxyphenyl)-9-[3-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propyl]-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C28H36N4OS
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| Molecular Weight |
476.69
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| Canonical SMILES |
COc1ccccc1N1CCC2(CCN(CCCSc3ncc([nH]3)-c3ccccc3)CC2)CC1
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| InChI |
InChI=1S/C28H36N4OS/c1-33-26-11-6-5-10-25(26)32-19-14-28(15-20-32)12-17-31(18-13-28)16-7-21-34-27-29-22-24(30-27)23-8-3-2-4-9-23/h2-6,8-11,22H,7,12-21H2,1H3,(H,29,30)
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| InChIKey |
NQVCRJIGEWITKT-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