General Information of the Compound
| Compound ID |
CP0729829
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| Compound Name |
1-((3R,4R)-4-Methyl-3-(methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C16H21N5O
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| Molecular Weight |
299.378
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| Canonical SMILES |
C=CC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc23)C1
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| InChI |
InChI=1S/C16H21N5O/c1-4-14(22)21-8-6-11(2)13(9-21)20(3)16-12-5-7-17-15(12)18-10-19-16/h4-5,7,10-11,13H,1,6,8-9H2,2-3H3,(H,17,18,19)/t11-,13+/m1/s1
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| InChIKey |
FNXSSGUJRSBRDD-YPMHNXCESA-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