General Information of the Compound
| Compound ID |
CP0568813
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| Compound Name |
4-[[5-amino-1-[2,6-difluoro-4-[2-(prop-2-enoylamino)ethyl]benzoyl]-1,2,4-triazol-3-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C22H21F2N7O3
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| Molecular Weight |
469.452
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| Canonical SMILES |
CNC(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)cc(CCNC(=O)C=C)cc2F)cc1
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| InChI |
InChI=1S/C22H21F2N7O3/c1-3-17(32)27-9-8-12-10-15(23)18(16(24)11-12)20(34)31-21(25)29-22(30-31)28-14-6-4-13(5-7-14)19(33)26-2/h3-7,10-11H,1,8-9H2,2H3,(H,26,33)(H,27,32)(H3,25,28,29,30)
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| InChIKey |
CKKVVCFCTMZGEW-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