General Information of the Compound
| Compound ID |
CP0570557
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| Compound Name |
4-[4-(2-fluorophenyl)piperazin-1-yl]-8-piperidin-1-ylquinoline-3-carbonitrile
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| Formula |
C25H26FN5
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| Molecular Weight |
415.516
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| Canonical SMILES |
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)N1CCCCC1)C#N
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| InChI |
InChI=1S/C25H26FN5/c26-21-8-2-3-9-22(21)30-13-15-31(16-14-30)25-19(17-27)18-28-24-20(25)7-6-10-23(24)29-11-4-1-5-12-29/h2-3,6-10,18H,1,4-5,11-16H2
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| InChIKey |
DPXNKKVFPDSPJK-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