General Information of the Compound
| Compound ID |
CP0499741
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| Compound Name |
(4-fluorophenyl)-[(8S)-8-methyl-3-pyridin-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 |
C18H16FN5O
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| Molecular Weight |
337.358
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| Canonical SMILES |
C[C@@H]1N(CCn2c1nnc2-c1ccccn1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C18H16FN5O/c1-12-16-21-22-17(15-4-2-3-9-20-15)24(16)11-10-23(12)18(25)13-5-7-14(19)8-6-13/h2-9,12H,10-11H2,1H3/t12-/m0/s1
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| InChIKey |
LOZJQVNFZDFQIJ-LBPRGKRZSA-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