General Information of the Compound
| Compound ID |
CP0228585
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| Compound Name |
7-[(2R)-butan-2-yl]-5,5-dimethyl-2-(pyridin-3-ylamino)pyrrolo[2,3-d]pyrimidin-6-one
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| Structure |
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| Formula |
C17H21N5O
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| Molecular Weight |
311.389
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| Canonical SMILES |
CC[C@@H](C)N1C(=O)C(C)(C)c2cnc(Nc3cccnc3)nc12
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| InChI |
InChI=1S/C17H21N5O/c1-5-11(2)22-14-13(17(3,4)15(22)23)10-19-16(21-14)20-12-7-6-8-18-9-12/h6-11H,5H2,1-4H3,(H,19,20,21)/t11-/m1/s1
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| InChIKey |
UDNQMFNBJNHRST-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