General Information of the Compound
| Compound ID |
CP0966137
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| Compound Name |
2-(3-chloro-4-(4-(trifluoromethyl)piperidine-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 |
C16H14ClF3N6O2
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| Molecular Weight |
414.775
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| Canonical SMILES |
O=C(c1cn(-c2nn3cccc3c(=O)[nH]2)nc1Cl)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C16H14ClF3N6O2/c17-12-10(14(28)24-6-3-9(4-7-24)16(18,19)20)8-26(22-12)15-21-13(27)11-2-1-5-25(11)23-15/h1-2,5,8-9H,3-4,6-7H2,(H,21,23,27)
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| InChIKey |
CJAFGDUECQVPOP-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