General Information of the Compound
| Compound ID |
CP0569996
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| Compound Name |
3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-(pyridazin-3-ylcarbamoyl)phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C24H24N8O3
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| Molecular Weight |
472.509
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| Canonical SMILES |
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cccnn1
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| InChI |
InChI=1S/C24H24N8O3/c1-2-6-19(33)31-14-4-3-7-17(31)23-29-20(21(22(25)34)32(23)26)15-9-11-16(12-10-15)24(35)28-18-8-5-13-27-30-18/h5,8-13,17H,3-4,7,14,26H2,1H3,(H2,25,34)(H,28,30,35)/t17-/m0/s1
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| InChIKey |
ZFBORKHXFAYCEX-KRWDZBQOSA-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