General Information of the Compound
| Compound ID |
CP0564283
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| Compound Name |
3-methoxy-1-methyl-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 |
C16H16F3N7O2
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| Molecular Weight |
395.345
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| Canonical SMILES |
COc1nn(C)cc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F
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| InChI |
InChI=1S/C16H16F3N7O2/c1-9(16(17,18)19)26-8-20-23-13(26)11-5-4-6-12(21-11)22-14(27)10-7-25(2)24-15(10)28-3/h4-9H,1-3H3,(H,21,22,27)/t9-/m0/s1
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| InChIKey |
VOAVBNDXAXMDDN-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