General Information of the Compound
| Compound ID |
CP0547159
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| Compound Name |
3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-[[4-(4-fluorophenyl)pyridin-2-yl]carbamoyl]phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C31H28FN7O3
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| Molecular Weight |
565.609
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| Canonical SMILES |
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C31H28FN7O3/c1-2-5-26(40)38-17-4-3-6-24(38)30-37-27(28(29(33)41)39(30)34)20-7-9-21(10-8-20)31(42)36-25-18-22(15-16-35-25)19-11-13-23(32)14-12-19/h7-16,18,24H,3-4,6,17,34H2,1H3,(H2,33,41)(H,35,36,42)/t24-/m0/s1
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| InChIKey |
YHNFAXONRPKPAO-DEOSSOPVSA-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