General Information of the Compound
| Compound ID |
CP0578690
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| Compound Name |
4-[[5-amino-1-[3-[2-[[(E)-but-2-enoyl]amino]ethyl]-2,6-difluorobenzoyl]-1,2,4-triazol-3-yl]amino]-N-methylbenzamide
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| Structure |
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| Formula |
C23H23F2N7O3
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| Molecular Weight |
483.479
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| Canonical SMILES |
CNC(=O)c1ccc(Nc2nc(N)n(n2)C(=O)c2c(F)ccc(CCNC(=O)\C=C\C)c2F)cc1
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| InChI |
InChI=1S/C23H23F2N7O3/c1-3-4-17(33)28-12-11-13-7-10-16(24)18(19(13)25)21(35)32-22(26)30-23(31-32)29-15-8-5-14(6-9-15)20(34)27-2/h3-10H,11-12H2,1-2H3,(H,27,34)(H,28,33)(H3,26,29,30,31)/b4-3+
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| InChIKey |
GFPNWHUCQWCCBM-ONEGZZNKSA-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