General Information of the Compound
| Compound ID |
CP0458754
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| Compound Name |
N-(2-fluorophenyl)-4-[5-[(3-methyl-5-phenyl-1-benzofuran-2-carbonyl)amino]pyridin-2-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C32H28FN5O3
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| Molecular Weight |
549.606
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| Canonical SMILES |
Cc1c(oc2ccc(cc12)-c1ccccc1)C(=O)Nc1ccc(nc1)N1CCN(CC1)C(=O)Nc1ccccc1F
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| InChI |
InChI=1S/C32H28FN5O3/c1-21-25-19-23(22-7-3-2-4-8-22)11-13-28(25)41-30(21)31(39)35-24-12-14-29(34-20-24)37-15-17-38(18-16-37)32(40)36-27-10-6-5-9-26(27)33/h2-14,19-20H,15-18H2,1H3,(H,35,39)(H,36,40)
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| InChIKey |
HFKWZMIMRFSILO-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