General Information of the Compound
| Compound ID |
CP0544044
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| Compound Name |
4-[5-[[3-(difluoromethyl)-1-benzofuran-2-carbonyl]amino]pyridin-2-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C26H22F3N5O3
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| Molecular Weight |
509.488
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| Canonical SMILES |
FC(F)c1c(oc2ccccc12)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
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| InChI |
InChI=1S/C26H22F3N5O3/c27-18-6-2-3-7-19(18)32-26(36)34-13-11-33(12-14-34)21-10-9-16(15-30-21)31-25(35)23-22(24(28)29)17-5-1-4-8-20(17)37-23/h1-10,15,24H,11-14H2,(H,31,35)(H,32,36)
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| InChIKey |
XBGKRHGZIAUWMF-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