General Information of the Compound
| Compound ID |
CP0543677
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| Compound Name |
2-(4-(2-(benzyloxy)acetyl)piperazin-1-yl)nicotinonitrile
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| Structure |
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| Formula |
C19H20N4O2
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| Molecular Weight |
336.395
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| Canonical SMILES |
O=C(COCc1ccccc1)N1CCN(CC1)c1ncccc1C#N
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| InChI |
InChI=1S/C19H20N4O2/c20-13-17-7-4-8-21-19(17)23-11-9-22(10-12-23)18(24)15-25-14-16-5-2-1-3-6-16/h1-8H,9-12,14-15H2
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| InChIKey |
NGGCMDAFRSVWRR-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