General Information of the Compound
| Compound ID |
CP0551205
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| Compound Name |
3-amino-5-[4-[(4-ethylpyridin-2-yl)carbamoyl]phenyl]-2-[(2S)-1-[(E)-pent-2-enoyl]piperidin-2-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C28H33N7O3
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| Molecular Weight |
515.618
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| Canonical SMILES |
CC\C=C\C(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(CC)ccn1
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| InChI |
InChI=1S/C28H33N7O3/c1-3-5-9-23(36)34-16-7-6-8-21(34)27-33-24(25(26(29)37)35(27)30)19-10-12-20(13-11-19)28(38)32-22-17-18(4-2)14-15-31-22/h5,9-15,17,21H,3-4,6-8,16,30H2,1-2H3,(H2,29,37)(H,31,32,38)/b9-5+/t21-/m0/s1
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| InChIKey |
SCOJWAOLJNGOCL-OWLMGLOSSA-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