General Information of the Compound
| Compound ID |
CP0760534
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| Compound Name |
(R)-1-(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 |
C15H19N5O
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| Molecular Weight |
285.351
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| Canonical SMILES |
C=CC(=O)N1CCC[C@@H](N(C)c2ncnc3[nH]ccc23)C1
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| InChI |
InChI=1S/C15H19N5O/c1-3-13(21)20-8-4-5-11(9-20)19(2)15-12-6-7-16-14(12)17-10-18-15/h3,6-7,10-11H,1,4-5,8-9H2,2H3,(H,16,17,18)/t11-/m1/s1
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| InChIKey |
BYVMQYSLOHLBEZ-LLVKDONJSA-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