General Information of the Compound
| Compound ID |
CP0434455
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| Compound Name |
2-(4-fluorophenyl)-6-[2-hydroxyethyl(methylsulfonyl)amino]-N-methyl-5-[3-[(1-phenylcyclopropyl)carbamoyl]phenyl]-1-benzofuran-3-carboxamide
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| Structure |
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| Formula |
C35H32FN3O6S
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| Molecular Weight |
641.721
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| Canonical SMILES |
CNC(=O)c1c(oc2cc(N(CCO)S(C)(=O)=O)c(cc12)-c1cccc(c1)C(=O)NC1(CC1)c1ccccc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C35H32FN3O6S/c1-37-34(42)31-28-20-27(23-7-6-8-24(19-23)33(41)38-35(15-16-35)25-9-4-3-5-10-25)29(39(17-18-40)46(2,43)44)21-30(28)45-32(31)22-11-13-26(36)14-12-22/h3-14,19-21,40H,15-18H2,1-2H3,(H,37,42)(H,38,41)
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| InChIKey |
TVJAATHIDLAWME-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