General Information of the Compound
| Compound ID |
CP0431153
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| Compound Name |
2-Diethylamino-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C12H14N4
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| Molecular Weight |
214.272
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| Canonical SMILES |
CCN(CC)c1[nH]c2cccnc2c1C#N
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| InChI |
InChI=1S/C12H14N4/c1-3-16(4-2)12-9(8-13)11-10(15-12)6-5-7-14-11/h5-7,15H,3-4H2,1-2H3
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| InChIKey |
CKPXGHLWBOEUBW-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