General Information of the Compound
| Compound ID |
CP0085849
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| Compound Name |
methyl (2S)-2-[[(4R,5R)-2-(2-hydroxyphenyl)-5-methyl-4,5-dihydro-1,3-thiazole-4-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoate
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| Structure |
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| Formula |
C18H20N4O4S
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| Molecular Weight |
388.449
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| Canonical SMILES |
COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1N=C(S[C@@H]1C)c1ccccc1O
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| InChI |
InChI=1S/C18H20N4O4S/c1-10-15(22-17(27-10)12-5-3-4-6-14(12)23)16(24)21-13(18(25)26-2)7-11-8-19-9-20-11/h3-6,8-10,13,15,23H,7H2,1-2H3,(H,19,20)(H,21,24)/t10-,13+,15+/m1/s1
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| InChIKey |
WSMFZWOSGRIXPV-DGFSRKRXSA-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