General Information of the Compound
| Compound ID |
CP0069322
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| Compound Name |
3-(4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzonitrile
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| Structure |
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| Formula |
C18H17N5
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| Molecular Weight |
303.369
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| Canonical SMILES |
N#Cc1cccc(c1)-c1c[nH]c2ncnc(N3CCCCC3)c12
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| InChI |
InChI=1S/C18H17N5/c19-10-13-5-4-6-14(9-13)15-11-20-17-16(15)18(22-12-21-17)23-7-2-1-3-8-23/h4-6,9,11-12H,1-3,7-8H2,(H,20,21,22)
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| InChIKey |
JZYGFRYCZUEFLK-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