General Information of the Compound
| Compound ID |
CP0546435
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| Compound Name |
2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]benzamide
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| Formula |
C18H16F3N5O2
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| Molecular Weight |
391.353
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| Canonical SMILES |
COc1ccccc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F
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| InChI |
InChI=1S/C18H16F3N5O2/c1-11(18(19,20)21)26-10-22-25-16(26)13-7-5-9-15(23-13)24-17(27)12-6-3-4-8-14(12)28-2/h3-11H,1-2H3,(H,23,24,27)/t11-/m0/s1
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| InChIKey |
VJNQDYFVFPUFLJ-NSHDSACASA-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