General Information of the Compound
| Compound ID |
CP0967572
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| Compound Name |
2-(5-cyclopropyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)-7-fluoropyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C19H18F4N6O2
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| Molecular Weight |
438.385
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| Canonical SMILES |
O=C(c1cnn(-c2nn3c(F)ccc3c(=O)[nH]2)c1C1CC1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C19H18F4N6O2/c20-14-4-3-13-16(30)25-18(26-28(13)14)29-15(10-1-2-10)12(9-24-29)17(31)27-7-5-11(6-8-27)19(21,22)23/h3-4,9-11H,1-2,5-8H2,(H,25,26,30)
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| InChIKey |
GZXLLKHXSHAELH-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