General Information of the Compound
| Compound ID |
CP0962075
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| Compound Name |
2-(4-(3-methoxy-3-(trifluoromethyl)piperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C18H19F3N6O3
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| Molecular Weight |
424.383
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| Canonical SMILES |
COC1(C(F)(F)F)CCCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)C1
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| InChI |
InChI=1S/C18H19F3N6O3/c1-11-12(15(29)25-7-4-6-17(10-25,30-2)18(19,20)21)9-22-27(11)16-23-14(28)13-5-3-8-26(13)24-16/h3,5,8-9H,4,6-7,10H2,1-2H3,(H,23,24,28)
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| InChIKey |
SVORHXDQPOTYEP-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