General Information of the Compound
| Compound ID |
CP0833023
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| Compound Name |
rac-N-(1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl)-2-cyano-N-methylacetamide
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| Structure |
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| Formula |
C14H16N6O
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| Molecular Weight |
284.323
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| Canonical SMILES |
CN(C(=O)CC#N)C1CCN(c2ncnc3[nH]ccc23)C1
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| InChI |
InChI=1S/C14H16N6O/c1-19(12(21)2-5-15)10-4-7-20(8-10)14-11-3-6-16-13(11)17-9-18-14/h3,6,9-10H,2,4,7-8H2,1H3,(H,16,17,18)
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| InChIKey |
OHQOIXITGAQUAT-UHFFFAOYSA-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