General Information of the Compound
| Compound ID |
CP0459137
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| Compound Name |
4-[[4-(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-yl]methyl]benzonitrile
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| Structure |
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| Formula |
C28H26N6O
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| Molecular Weight |
462.557
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| Canonical SMILES |
O=C(N1CCN(Cc2ccc(cc2)C#N)CC1)c1cn(Cc2ccccc2)nc1-c1cccnc1
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| InChI |
InChI=1S/C28H26N6O/c29-17-22-8-10-24(11-9-22)19-32-13-15-33(16-14-32)28(35)26-21-34(20-23-5-2-1-3-6-23)31-27(26)25-7-4-12-30-18-25/h1-12,18,21H,13-16,19-20H2
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| InChIKey |
FGQRUJJWJBETIK-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