General Information of the Compound
| Compound ID |
CP0120399
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| Compound Name |
(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methyl-1,3,4-thiadiazol-2-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 |
C16H15FN6OS
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| Molecular Weight |
358.402
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1nnc(C)s1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C16H15FN6OS/c1-9-13-19-20-14(15-21-18-10(2)25-15)23(13)8-7-22(9)16(24)11-3-5-12(17)6-4-11/h3-6,9H,7-8H2,1-2H3/t9-/m1/s1
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| InChIKey |
CAIWJHRYFVPEML-SECBINFHSA-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