General Information of the Compound
| Compound ID |
CP0573990
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| Compound Name |
3-amino-5-[4-[(4-cyanopyridin-2-yl)carbamoyl]phenyl]-2-[(2S)-1-prop-2-enoylpiperidin-2-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C25H24N8O3
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| Molecular Weight |
484.52
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| Canonical SMILES |
NC(=O)c1c(nc([C@@H]2CCCCN2C(=O)C=C)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C#N
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| InChI |
InChI=1S/C25H24N8O3/c1-2-20(34)32-12-4-3-5-18(32)24-31-21(22(23(27)35)33(24)28)16-6-8-17(9-7-16)25(36)30-19-13-15(14-26)10-11-29-19/h2,6-11,13,18H,1,3-5,12,28H2,(H2,27,35)(H,29,30,36)/t18-/m0/s1
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| InChIKey |
MQSYLZOXYQUGAM-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