General Information of the Compound
| Compound ID |
CP0905479
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| Compound Name |
6-fluoro-2-(4-(4-(2,2,2-trifluoroethyl)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 |
C17H16F4N6O2
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| Molecular Weight |
412.347
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| Canonical SMILES |
O=C(c1cnn(-c2nn3cc(F)cc3c(=O)[nH]2)c1)N1CCC(CC(F)(F)F)CC1
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| InChI |
InChI=1S/C17H16F4N6O2/c18-12-5-13-14(28)23-16(24-26(13)9-12)27-8-11(7-22-27)15(29)25-3-1-10(2-4-25)6-17(19,20)21/h5,7-10H,1-4,6H2,(H,23,24,28)
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| InChIKey |
CDENGVCSRQCHCR-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