General Information of the Compound
| Compound ID |
CP0533410
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| Compound Name |
6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[4-methoxy-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
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| Structure |
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| Formula |
C34H32FN5O6S
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| Molecular Weight |
657.724
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| Canonical SMILES |
CCN(c1cc2oc(c(C(=O)NC)c2cc1-c1ccc(OC)c(c1)C(=O)NC1(CC1)c1ncccn1)-c1ccc(F)cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C34H32FN5O6S/c1-5-40(47(4,43)44)26-19-28-24(29(32(42)36-2)30(46-28)20-7-10-22(35)11-8-20)18-23(26)21-9-12-27(45-3)25(17-21)31(41)39-34(13-14-34)33-37-15-6-16-38-33/h6-12,15-19H,5,13-14H2,1-4H3,(H,36,42)(H,39,41)
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| InChIKey |
OHUDQFHGSHRNJY-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