General Information of the Compound
| Compound ID |
CP0573989
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| Compound Name |
3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-[(4-ethylpyridin-2-yl)carbamoyl]phenyl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C27H29N7O3
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| Molecular Weight |
499.575
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| Canonical SMILES |
CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n(N)c2C(N)=O)c1
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| InChI |
InChI=1S/C27H29N7O3/c1-3-7-22(35)33-15-6-5-8-20(33)26-32-23(24(25(28)36)34(26)29)18-9-11-19(12-10-18)27(37)31-21-16-17(4-2)13-14-30-21/h9-14,16,20H,4-6,8,15,29H2,1-2H3,(H2,28,36)(H,30,31,37)/t20-/m0/s1
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| InChIKey |
FJXWWDSJINEECO-FQEVSTJZSA-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