General Information of the Compound
| Compound ID |
CP0444342
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| Compound Name |
2-[(4S,5S)-4-(1H-imidazol-5-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]phenol
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| Structure |
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| Formula |
C14H15N3OS
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| Molecular Weight |
273.361
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| Canonical SMILES |
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccccc1O
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| InChI |
InChI=1S/C14H15N3OS/c1-9-12(6-10-7-15-8-16-10)17-14(19-9)11-4-2-3-5-13(11)18/h2-5,7-9,12,18H,6H2,1H3,(H,15,16)/t9-,12-/m0/s1
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| InChIKey |
YSCNOWHLCXMNDZ-CABZTGNLSA-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: 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