General Information of the Compound
| Compound ID |
CP0126108
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| Compound Name |
(4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
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| Structure |
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| Formula |
C17H17FN6O2S
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| Molecular Weight |
388.428
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| Canonical SMILES |
Cc1nsc(n1)-c1nnc2[C@@H](CCO)N(CCn12)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3/t13-/m1/s1
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| InChIKey |
SZEYAOKHLPDWFZ-CYBMUJFWSA-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: PT01199, Neuromedin-K receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01290, Substance-K receptor
Protein ID: PT01410, Substance-P receptor