General Information of the Compound
| Compound ID |
CP0547876
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| Compound Name |
7-(2-methoxyphenyl)-2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-2,7-diazaspiro[3.4]octane
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| Structure |
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| Formula |
C25H31N5OS
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| Molecular Weight |
449.624
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| Canonical SMILES |
COc1ccccc1N1CCC2(CN(CCCSc3nnc(-c4ccccc4)n3C)C2)C1
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| InChI |
InChI=1S/C25H31N5OS/c1-28-23(20-9-4-3-5-10-20)26-27-24(28)32-16-8-14-29-17-25(18-29)13-15-30(19-25)21-11-6-7-12-22(21)31-2/h3-7,9-12H,8,13-19H2,1-2H3
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| InChIKey |
WTHYXVSYKDCUKR-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