General Information of the Compound
| Compound ID |
CP0874547
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| Compound Name |
(3-(1H-Pyrazol-1-yl)azetidin-1-yl)(3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)methanone trifluoroacetate
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| Structure |
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| Formula |
C22H19F6N5O4
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| Molecular Weight |
531.413
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| Canonical SMILES |
NCc1cc(Oc2cccc(C(=O)N3CC(n4cccn4)C3)c2)nc(C(F)(F)F)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C20H18F3N5O2.C2HF3O2/c21-20(22,23)17-7-13(10-24)8-18(26-17)30-16-4-1-3-14(9-16)19(29)27-11-15(12-27)28-6-2-5-25-28;3-2(4,5)1(6)7/h1-9,15H,10-12,24H2;(H,6,7)
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| InChIKey |
DTPZVWQZGHEDEG-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