General Information of the Compound
| Compound ID |
CP0539078
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| Compound Name |
3-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-5-propoxy-[1,2,4]triazolo[4,3-a]pyrazine
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| Structure |
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| Formula |
C19H17F3N6O
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| Molecular Weight |
402.38
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| Canonical SMILES |
CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)n12
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| InChI |
InChI=1S/C19H17F3N6O/c1-3-8-29-16-11-23-10-15-25-26-18(28(15)16)14-9-24-27(2)17(14)12-4-6-13(7-5-12)19(20,21)22/h4-7,9-11H,3,8H2,1-2H3
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| InChIKey |
OXMFSNZRKNLRNH-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