General Information of the Compound
| Compound ID |
CP0543402
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| Compound Name |
3-amino-5-[4-[(4-ethylpyridin-2-yl)carbamoyl]phenyl]-2-[(2S)-1-prop-2-ynoylpiperidin-2-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C26H27N7O3
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| Molecular Weight |
485.548
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| Canonical SMILES |
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#C)n(N)c2C(N)=O)c1
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| InChI |
InChI=1S/C26H27N7O3/c1-3-16-12-13-29-20(15-16)30-26(36)18-10-8-17(9-11-18)22-23(24(27)35)33(28)25(31-22)19-7-5-6-14-32(19)21(34)4-2/h2,8-13,15,19H,3,5-7,14,28H2,1H3,(H2,27,35)(H,29,30,36)/t19-/m0/s1
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| InChIKey |
FCLIIVAROISSRH-IBGZPJMESA-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