General Information of the Compound
| Compound ID |
CP0574861
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| Compound Name |
3-amino-2-[(2S)-1-[(E)-2-cyano-4-methylpent-2-enoyl]piperidin-2-yl]-5-[4-[(4-ethylpyridin-2-yl)carbamoyl]phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C30H34N8O3
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| Molecular Weight |
554.655
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| Canonical SMILES |
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C(=C\C(C)C)\C#N)n(N)c2C(N)=O)c1
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| InChI |
InChI=1S/C30H34N8O3/c1-4-19-12-13-34-24(16-19)35-29(40)21-10-8-20(9-11-21)25-26(27(32)39)38(33)28(36-25)23-7-5-6-14-37(23)30(41)22(17-31)15-18(2)3/h8-13,15-16,18,23H,4-7,14,33H2,1-3H3,(H2,32,39)(H,34,35,40)/b22-15+/t23-/m0/s1
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| InChIKey |
WVJYWIJSDFPZNN-DWFNGTSHSA-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