General Information of the Compound
| Compound ID |
CP0564706
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| Compound Name |
4-[4-(2-fluorophenyl)piperazin-1-yl]-8-(1,2,4-triazol-1-yl)quinoline-3-carbonitrile
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| Formula |
C22H18FN7
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| Molecular Weight |
399.433
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| Canonical SMILES |
Fc1ccccc1N1CCN(CC1)c1c(cnc2c(cccc12)-n1cncn1)C#N
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| InChI |
InChI=1S/C22H18FN7/c23-18-5-1-2-6-19(18)28-8-10-29(11-9-28)22-16(12-24)13-26-21-17(22)4-3-7-20(21)30-15-25-14-27-30/h1-7,13-15H,8-11H2
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| InChIKey |
RKTHVFINKHOTLB-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