General Information of the Compound
| Compound ID |
CP0548041
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| Compound Name |
(R)-(4-fluorophenyl)(8-methyl-3-(quinolin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
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| Structure |
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| Formula |
C22H18FN5O
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| Molecular Weight |
387.418
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| Canonical SMILES |
C[C@H]1N(CCn2c1nnc2-c1ccc2ccccc2n1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H18FN5O/c1-14-20-25-26-21(19-11-8-15-4-2-3-5-18(15)24-19)28(20)13-12-27(14)22(29)16-6-9-17(23)10-7-16/h2-11,14H,12-13H2,1H3/t14-/m1/s1
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| InChIKey |
YKPRLSIENHBXFV-CQSZACIVSA-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