General Information of the Compound
| Compound ID |
CP0807129
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| Compound Name |
(R,E)-N-(2-hydroxypropyl)-3-(4-isobutoxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl)acrylamide
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| Structure |
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| Formula |
C16H22N4O3
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| Molecular Weight |
318.377
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| Canonical SMILES |
CC(C)COc1ncnc2[nH]cc(/C=C/C(=O)NC[C@@H](C)O)c12
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| InChI |
InChI=1S/C16H22N4O3/c1-10(2)8-23-16-14-12(7-18-15(14)19-9-20-16)4-5-13(22)17-6-11(3)21/h4-5,7,9-11,21H,6,8H2,1-3H3,(H,17,22)(H,18,19,20)/b5-4+/t11-/m1/s1
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| InChIKey |
MWPHJYBAPLXHKA-SGUJLRQBSA-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