General Information of the Compound
| Compound ID |
CP0433327
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| Compound Name |
4-[5-(1-benzofuran-2-carbonylamino)pyridin-2-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C25H22FN5O3
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| Molecular Weight |
459.481
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| Canonical SMILES |
Fc1ccccc1NC(=O)N1CCN(CC1)c1ccc(NC(=O)c2cc3ccccc3o2)cn1
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| InChI |
InChI=1S/C25H22FN5O3/c26-19-6-2-3-7-20(19)29-25(33)31-13-11-30(12-14-31)23-10-9-18(16-27-23)28-24(32)22-15-17-5-1-4-8-21(17)34-22/h1-10,15-16H,11-14H2,(H,28,32)(H,29,33)
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| InChIKey |
QHCCEBGQICEHLA-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