General Information of the Compound
| Compound ID |
CP0726170
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| Compound Name |
2-(4-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)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 |
C18H16F6N6O3
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| Molecular Weight |
478.353
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cccc3c(=O)[nH]2)c1)N1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
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| InChI |
InChI=1S/C18H16F6N6O3/c19-17(20,21)16(33,18(22,23)24)11-3-6-28(7-4-11)14(32)10-8-25-30(9-10)15-26-13(31)12-2-1-5-29(12)27-15/h1-2,5,8-9,11,33H,3-4,6-7H2,(H,26,27,31)
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| InChIKey |
CVSNOURDFXGZMS-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