General Information of the Compound
| Compound ID |
CP0069328
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| Compound Name |
3-[4-(diethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
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| Structure |
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| Formula |
C17H17N5
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| Molecular Weight |
291.358
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| Canonical SMILES |
CCN(CC)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
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| InChI |
InChI=1S/C17H17N5/c1-3-22(4-2)17-15-14(10-19-16(15)20-11-21-17)13-7-5-6-12(8-13)9-18/h5-8,10-11H,3-4H2,1-2H3,(H,19,20,21)
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| InChIKey |
CHQSECXFXGQREC-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