General Information of the Compound
| Compound ID |
CP0437960
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| Compound Name |
7-hydroxy-2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
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| Structure |
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| Formula |
C16H15F3N2O2
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| Molecular Weight |
324.302
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| Canonical SMILES |
Oc1cn2CCN(Cc3ccc(cc3)C(F)(F)F)Cc2cc1=O
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| InChI |
InChI=1S/C16H15F3N2O2/c17-16(18,19)12-3-1-11(2-4-12)8-20-5-6-21-10-15(23)14(22)7-13(21)9-20/h1-4,7,10,23H,5-6,8-9H2
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| InChIKey |
FZSVXZAGRBQUEL-UHFFFAOYSA-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