General Information of the Compound
| Compound ID |
CP0471851
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| Compound Name |
5-[3,4-difluoro-5-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
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| Structure |
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| Formula |
C33H28F3N5O5S
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| Molecular Weight |
663.678
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| Canonical SMILES |
CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1cc(F)c(F)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C33H28F3N5O5S/c1-4-41(47(3,44)45)25-17-26-22(27(31(43)37-2)29(46-26)18-6-8-20(34)9-7-18)16-21(25)19-14-23(28(36)24(35)15-19)30(42)40-33(10-11-33)32-38-12-5-13-39-32/h5-9,12-17H,4,10-11H2,1-3H3,(H,37,43)(H,40,42)
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| InChIKey |
HWHRKUXLDXFZKY-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