General Information of the Compound
| Compound ID |
CP0569495
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| Compound Name |
4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C17H14F2N6O2
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| Molecular Weight |
372.335
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| Canonical SMILES |
CNC(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cccc2F)cc1
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| InChI |
InChI=1S/C17H14F2N6O2/c1-21-14(26)9-5-7-10(8-6-9)22-17-23-16(20)25(24-17)15(27)13-11(18)3-2-4-12(13)19/h2-8H,1H3,(H,21,26)(H3,20,22,23,24)
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| InChIKey |
IKZJXIHAAUBRSY-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