General Information of the Compound
| Compound ID |
CP0491431
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| Compound Name |
3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C25H25N7O3
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| Molecular Weight |
471.521
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| Canonical SMILES |
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1ccccn1
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| InChI |
InChI=1S/C25H25N7O3/c1-2-7-20(33)31-15-6-4-8-18(31)24-30-21(22(23(26)34)32(24)27)16-10-12-17(13-11-16)25(35)29-19-9-3-5-14-28-19/h3,5,9-14,18H,4,6,8,15,27H2,1H3,(H2,26,34)(H,28,29,35)/t18-/m0/s1
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| InChIKey |
BBDPYOGJKVWVHO-SFHVURJKSA-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