General Information of the Compound
| Compound ID |
CP0958689
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| Compound Name |
(S)-N-(1-(4-chloro-3-fluorophenyl)ethyl)-2-(8-(oxetan-3-ylamino)-3-oxo-[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl)acetamide
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| Formula |
C18H18ClFN6O3
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| Molecular Weight |
420.832
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| Canonical SMILES |
C[C@H](NC(=O)Cn1nc2c(NC3COC3)nccn2c1=O)c1ccc(Cl)c(F)c1
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| InChI |
InChI=1S/C18H18ClFN6O3/c1-10(11-2-3-13(19)14(20)6-11)22-15(27)7-26-18(28)25-5-4-21-16(17(25)24-26)23-12-8-29-9-12/h2-6,10,12H,7-9H2,1H3,(H,21,23)(H,22,27)/t10-/m0/s1
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| InChIKey |
KAPDMMUGTLZBGM-JTQLQIEISA-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: PT06277, Probable G-protein coupled receptor 139
Protein ID: PT06789, Probable G-protein coupled receptor 139