General Information of the Compound
| Compound ID |
CP0483049
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| Compound Name |
9-[3-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3-(2-methoxyphenyl)-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C28H43N5OS
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| Molecular Weight |
497.753
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| Canonical SMILES |
COc1ccccc1N1CCC2(CCN(CCCSc3nnc(C4CCCCC4)n3C)CC2)CC1
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| InChI |
InChI=1S/C28H43N5OS/c1-31-26(23-9-4-3-5-10-23)29-30-27(31)35-22-8-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-11-6-7-12-25(24)34-2/h6-7,11-12,23H,3-5,8-10,13-22H2,1-2H3
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| InChIKey |
VYQGDEGEWDOYTJ-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