General Information of the Compound
| Compound ID |
CP0069329
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| Compound Name |
3-[4-[(3R)-3-methylpiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile
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| Structure |
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| Formula |
C19H19N5
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| Molecular Weight |
317.396
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| Canonical SMILES |
C[C@@H]1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
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| InChI |
InChI=1S/C19H19N5/c1-13-4-3-7-24(11-13)19-17-16(10-21-18(17)22-12-23-19)15-6-2-5-14(8-15)9-20/h2,5-6,8,10,12-13H,3-4,7,11H2,1H3,(H,21,22,23)/t13-/m1/s1
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| InChIKey |
WVOMGQLDVCJODR-CYBMUJFWSA-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