General Information of the Compound
| Compound ID |
CP0547459
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| Compound Name |
3-amino-5-[4-[(4-ethylpyridin-2-yl)carbamoyl]phenyl]-2-[(2S)-1-(3-methylbut-2-enoyl)piperidin-2-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C28H33N7O3
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| Molecular Weight |
515.618
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| Canonical SMILES |
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C=C(C)C)n(N)c2C(N)=O)c1
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| InChI |
InChI=1S/C28H33N7O3/c1-4-18-12-13-31-22(16-18)32-28(38)20-10-8-19(9-11-20)24-25(26(29)37)35(30)27(33-24)21-7-5-6-14-34(21)23(36)15-17(2)3/h8-13,15-16,21H,4-7,14,30H2,1-3H3,(H2,29,37)(H,31,32,38)/t21-/m0/s1
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| InChIKey |
GEGSIGXJFUNDNW-NRFANRHFSA-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