General Information of the Compound
| Compound ID |
CP0176520
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| Compound Name |
(4S,5S)-4-(1H-imidazol-5-ylmethyl)-5-methyl-2-(4-phenylphenyl)-4,5-dihydro-1,3-thiazole
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| Structure |
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| Formula |
C20H19N3S
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| Molecular Weight |
333.46
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| Canonical SMILES |
C[C@@H]1SC(=N[C@H]1Cc1c[nH]cn1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C20H19N3S/c1-14-19(11-18-12-21-13-22-18)23-20(24-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,12-14,19H,11H2,1H3,(H,21,22)/t14-,19-/m0/s1
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| InChIKey |
QVXAHGDCGJXOPS-LIRRHRJNSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C