General Information of the Compound
| Compound ID |
CP0577580
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| Compound Name |
3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-[(5-fluoro-4-methylpyridin-2-yl)carbamoyl]phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C26H26FN7O3
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| Molecular Weight |
503.538
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| Canonical SMILES |
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(C)c(F)cn1
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| InChI |
InChI=1S/C26H26FN7O3/c1-3-6-21(35)33-12-5-4-7-19(33)25-32-22(23(24(28)36)34(25)29)16-8-10-17(11-9-16)26(37)31-20-13-15(2)18(27)14-30-20/h8-11,13-14,19H,4-5,7,12,29H2,1-2H3,(H2,28,36)(H,30,31,37)/t19-/m0/s1
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| InChIKey |
VHUWNCIMWYRTIU-IBGZPJMESA-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