General Information of the Compound
| Compound ID |
CP0829389
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| Compound Name |
2-(4-(4-hydroxy-4-(trifluoromethyl)azepane-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 |
Cc1c(C(=O)N2CCCC(O)(C(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H19F3N6O3/c1-11-12(15(29)25-7-3-5-17(30,6-9-25)18(19,20)21)10-22-27(11)16-23-14(28)13-4-2-8-26(13)24-16/h2,4,8,10,30H,3,5-7,9H2,1H3,(H,23,24,28)
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| InChIKey |
ZCPXNUGMHKPLGC-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