General Information of the Compound
| Compound ID |
CP0396120
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| Compound Name |
[(4S,5S)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1,3-thiazol-4-yl]methanol
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| Structure |
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| Formula |
C19H29NO2S
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| Molecular Weight |
335.513
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| Canonical SMILES |
CCCCCCCCOc1ccc(cc1)C1=N[C@@H](CO)[C@H](C)S1
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| InChI |
InChI=1S/C19H29NO2S/c1-3-4-5-6-7-8-13-22-17-11-9-16(10-12-17)19-20-18(14-21)15(2)23-19/h9-12,15,18,21H,3-8,13-14H2,1-2H3/t15-,18-/m0/s1
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| InChIKey |
IIEWAJHEHBGVAH-YJBOKZPZSA-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: PT01202, 5-hydroxytryptamine receptor 1B
Protein ID: PT00827, 5-hydroxytryptamine receptor 1D
Protein ID: PT02507, 5-hydroxytryptamine receptor 1E
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT02227, 5-hydroxytryptamine receptor 3A
Protein ID: PT01513, 5-hydroxytryptamine receptor 5A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7