General Information of the Compound
| Compound ID |
CP0831168
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| Compound Name |
rac-N-((1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl)methyl)-2-cyano-N-methylacetamide
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| Structure |
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| Formula |
C15H18N6O
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| Molecular Weight |
298.35
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| Canonical SMILES |
CN(CC1CCCN1c1ncnc2[nH]ccc12)C(=O)CC#N
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| InChI |
InChI=1S/C15H18N6O/c1-20(13(22)4-6-16)9-11-3-2-8-21(11)15-12-5-7-17-14(12)18-10-19-15/h5,7,10-11H,2-4,8-9H2,1H3,(H,17,18,19)
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| InChIKey |
KMENLUUDFPSUNT-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