General Information of the Compound
| Compound ID |
CP0905478
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| Compound Name |
2-(4-(4-(2,4-difluorophenyl)piperazine-1-carbonyl)-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 |
C20H17F2N7O2
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| Molecular Weight |
425.399
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCN(c2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C20H17F2N7O2/c21-14-3-4-16(15(22)10-14)26-6-8-27(9-7-26)19(31)13-11-23-29(12-13)20-24-18(30)17-2-1-5-28(17)25-20/h1-5,10-12H,6-9H2,(H,24,25,30)
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| InChIKey |
VCFJTOWZYJLTGB-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