General Information of the Compound
| Compound ID |
CP0546434
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| Compound Name |
3-methoxy-1-(2,2,2-trifluoroethyl)-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrazole-4-carboxamide
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| Structure |
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| Formula |
C17H15F6N7O2
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| Molecular Weight |
463.342
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| Canonical SMILES |
COc1nn(CC(F)(F)F)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F
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| InChI |
InChI=1S/C17H15F6N7O2/c1-9(17(21,22)23)30-8-24-27-13(30)11-4-3-5-12(25-11)26-14(31)10-6-29(7-16(18,19)20)28-15(10)32-2/h3-6,8-9H,7H2,1-2H3,(H,25,26,31)/t9-/m0/s1
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| InChIKey |
DXWUXPKKSJLAJZ-VIFPVBQESA-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