General Information of the Compound
| Compound ID |
CP0315737
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| Compound Name |
2-[4-(1H-imidazol-5-ylmethyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-yl]phenol
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| Structure |
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| Formula |
C19H17N3OS
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| Molecular Weight |
335.432
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| Canonical SMILES |
Oc1ccccc1C1=NC(Cc2c[nH]cn2)C(S1)c1ccccc1
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| InChI |
InChI=1S/C19H17N3OS/c23-17-9-5-4-8-15(17)19-22-16(10-14-11-20-12-21-14)18(24-19)13-6-2-1-3-7-13/h1-9,11-12,16,18,23H,10H2,(H,20,21)
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| InChIKey |
BDLSNMGOWYNTSL-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: 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