General Information of the Compound
| Compound ID |
CP0162156
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| Compound Name |
3-(4-fluorophenyl)-9-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,9-diazaspiro[5.5]undecane
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| Structure |
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| Formula |
C27H34FN5S
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| Molecular Weight |
479.669
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| Canonical SMILES |
Cn1c(SCCCN2CCC3(CC2)CCN(CC3)c2ccc(F)cc2)nnc1-c1ccccc1
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| InChI |
InChI=1S/C27H34FN5S/c1-31-25(22-6-3-2-4-7-22)29-30-26(31)34-21-5-16-32-17-12-27(13-18-32)14-19-33(20-15-27)24-10-8-23(28)9-11-24/h2-4,6-11H,5,12-21H2,1H3
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| InChIKey |
ZFMUBWAYZJMZAS-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor