General Information of the Compound
| Compound ID |
CP0576714
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| Compound Name |
4-[[5-amino-1-[2,6-difluoro-3-[(prop-2-enoylamino)methyl]benzoyl]-1,2,4-triazol-3-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C21H19F2N7O3
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| Molecular Weight |
455.425
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| Canonical SMILES |
CNC(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)ccc(CNC(=O)C=C)c2F)cc1
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| InChI |
InChI=1S/C21H19F2N7O3/c1-3-15(31)26-10-12-6-9-14(22)16(17(12)23)19(33)30-20(24)28-21(29-30)27-13-7-4-11(5-8-13)18(32)25-2/h3-9H,1,10H2,2H3,(H,25,32)(H,26,31)(H3,24,27,28,29)
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| InChIKey |
AYQKSXNHEVANMM-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